56928028 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 16 8 8 8 7 7 6 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 2 3 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 13 14 14 15 15 17 17 18 18 19 19 20 21 22 22 23 23 24 24 25 25 26 26 27 10 11 13 16 21 7 8 9 12 21 36 10 28 29 11 30 31 12 13 32 33 34 35 16 14 15 17 16 18 19 37 20 38 20 39 40 22 23 24 25 41 26 42 27 43 27 44 45 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 1 1 1 2 1 2 1 1 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 2.866 6.3301 6.3301 5.4641 4.5981 4.5981 3.732 4.5981 5.4641 2.866 3.732 5.4641 6.3301 7.1962 7.1962 6.3301 8.0901 8.0901 8.9962 8.9962 4.5981 3.732 2.866 3.732 2 2.866 2 3.3335 4.1306 5.2087 4.8101 2.2554 2.654 4.1306 3.3335 4.0611 8.0829 8.0829 9.5319 9.5319 2.866 4.269 1.4631 2.866 1.4631 2.75 2.75 -1.25 -1.75 1.75 -0.25 1.25 2.75 1.25 1.75 3.25 0.25 1.75 1.25 0.25 -0.25 1.7847 -0.2847 1.2708 0.2292 -1.25 -1.75 -1.25 -2.75 -1.75 -3.25 -2.75 0.7751 0.7751 2.6423 3.3326 1.8577 1.1674 3.725 3.725 0.06 2.4046 -0.9046 1.5829 -0.0829 -0.63 -3.06 -1.44 -3.87 -3.06 8 8 8 8 8 8 8 8 8 8 8 8 14 14 15 17 18 19 22 22 23 24 25 26 15 17 18 19 20 20 23 24 25 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 648 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30004000000000000000000000000000000000003C6081000000000000814000001E04100000000C0CC5D804B00083C000088802A55250008200002400100888018804C8082032809531842108608400A889C71989808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,4-dioxo-3-thiomorpholino-2-naphthyl)benzamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,4-dioxo-3-thiomorpholin-4-yl-2-naphthalenyl)benzamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(1,4-dioxo-3-thiomorpholin-4-ylnaphthalen-2-yl)benzamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,4-dioxo-3-thiomorpholin-4-ylnaphthalen-2-yl)benzamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[1,4-bis(oxidanylidene)-3-thiomorpholin-4-yl-naphthalen-2-yl]benzamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,4-diketo-3-thiomorpholino-2-naphthyl)benzamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C21H18N2O3S/c24-19-15-8-4-5-9-16(15)20(25)18(23-10-12-27-13-11-23)17(19)22-21(26)14-6-2-1-3-7-14/h1-9H,10-13H2,(H,22,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IENRQRLKGHQBGR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 378.10381361 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C21H18N2O3S Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 378.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CSCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CSCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 91.8 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 378.10381361 27 0 0 0 0 0 0 0 1 -1