10180 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 16 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 9 9 9 10 10 10 11 12 12 13 14 14 15 15 16 17 18 18 18 19 19 19 20 20 20 21 21 22 22 23 23 24 11 17 13 5 9 10 6 7 29 6 25 26 27 28 8 14 11 13 18 30 31 19 32 33 12 16 20 15 16 34 17 21 35 22 36 37 38 39 40 41 42 43 44 23 45 24 46 24 47 48 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 4.666 4.666 8.1232 6.4144 7.2631 7.2746 6.426 5.5321 8.1117 8.995 5.5321 6.426 4.666 7.3321 3.8 7.3321 3.8 8.9719 9.8552 6.4144 2.9061 2.9061 2 2 7.0443 6.6538 7.4934 7.8839 5.874 7.8929 7.5024 8.602 9.399 7.8678 7.8678 9.2881 9.5052 8.6557 10.1714 10.3885 9.539 5.7945 6.4073 7.0344 2.9132 2.9132 1.4643 1.4643 -2.7649 0.2351 2.2896 0.2697 1.7796 0.7797 -0.7302 -1.2649 3.2895 1.7996 -2.2649 -2.7996 -0.7649 -1.2441 -1.2649 -2.2857 -2.2649 3.7995 2.3096 -3.7995 -0.7302 -2.7996 -1.2441 -2.2857 2.3597 1.6649 0.1996 0.8944 0.5735 3.8696 3.1748 1.3201 1.3293 -0.932 -2.5978 3.2662 4.1157 4.3328 1.7763 2.6258 2.8429 -3.7923 -4.4195 -3.8067 -0.1103 -3.4195 -0.932 -2.5978 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 7 7 8 8 11 12 13 14 15 15 17 21 22 23 11 17 8 14 11 13 12 16 15 16 17 21 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 426 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B2000400000000000000000000000000000000000346080000000000000914000001E04100000000C0CC1D80432C183C000088802A4524000820000250A100888990864C808603AE0959194218C609000E8C9C71888C08E080002002006000010000400400C0000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(diethylamino)ethylamino]-4-methyl-thioxanthen-9-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(diethylamino)ethylamino]-4-methyl-9-thioxanthenone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(diethylamino)ethylamino]-4-methylthioxanthen-9-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(diethylamino)ethylamino]-4-methyl-thioxanthen-9-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[2-(diethylamino)ethylamino]-4-methyl-thioxanthen-9-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H24N2OS/c1-4-22(5-2)13-12-21-16-11-10-14(3)20-18(16)19(23)15-8-6-7-9-17(15)24-20/h6-11,21H,4-5,12-13H2,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FBQPGGIHOFZRGH-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 340.16093457 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H24N2OS Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 340.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCN(CC)CCNC1=C2C(=C(C=C1)C)SC3=CC=CC=C3C2=O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 57.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 340.16093457 24 0 0 0 0 0 0 0 1 -1