5191182 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 16 16 8 8 8 8 7 7 7 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 2 3 3 4 5 5 6 7 7 7 8 8 8 9 9 10 10 10 11 11 12 12 12 13 15 15 15 16 16 16 19 19 19 20 21 22 22 23 23 24 13 14 18 17 19 17 21 24 20 14 18 33 9 18 34 20 35 11 12 13 14 17 15 25 26 16 27 28 29 30 31 32 36 37 38 21 22 23 39 24 40 41 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 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 5.0032 6.7985 3.6372 5.3692 11.373 9.8596 6.2633 7.9575 8.7006 3.6942 4.5032 2.7431 4.0032 5.3122 2 3.4154 4.5032 7.0064 3.6372 9.6517 10.3948 10.2903 11.2039 11.873 3.0342 2.2546 1.5851 1.5392 2.4149 2.9138 3.051 3.917 6.3922 8.0864 8.5717 4.2572 3.6372 3.0172 9.7534 11.3328 12.4896 -1.2542 -1.6414 1.7847 1.7847 -1.1755 0.2638 0.0059 -0.3542 -1.0233 -0.3031 0.2847 0.0059 -1.2542 -0.3031 -0.6632 -2.0632 1.2847 -0.6632 2.7847 -0.7143 -1.3834 -2.378 -2.7847 -2.0416 0.5534 0.3876 -0.2025 -1.0781 -1.124 -1.6987 -2.5648 -2.4276 0.6124 0.2523 -1.6298 2.7847 3.4047 2.7847 -2.688 -3.3911 -2.1064 8 8 8 8 8 8 8 8 8 8 1 1 5 5 10 10 11 21 22 23 13 14 21 24 11 13 14 22 23 24 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 491 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E073380060000000000000000000000000012240000000000000000000000001E000001E04180000000C04A1D802338D82E204488C02A9D2D80283088065281B1EA811C64CC88E263AE4B59F8719A8F6C01368E9E69817000E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl 4-ethyl-2-[(furan-2-carbonylamino)carbamothioylamino]-5-methyl-thiophene-3-carboxylate IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethyl-2-[[[[2-furanyl(oxo)methyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl 4-ethyl-2-[(furan-2-carbonylamino)carbamothioylamino]-5-methylthiophene-3-carboxylate IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl 4-ethyl-2-[(furan-2-carbonylamino)carbamothioylamino]-5-methylthiophene-3-carboxylate IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 methyl 4-ethyl-2-[(furan-2-ylcarbonylamino)carbamothioylamino]-5-methyl-thiophene-3-carboxylate IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-ethyl-2-[(2-furoylamino)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H17N3O4S2/c1-4-9-8(2)24-13(11(9)14(20)21-3)16-15(23)18-17-12(19)10-6-5-7-22-10/h5-7H,4H2,1-3H3,(H,17,19)(H2,16,18,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AVXSIQHGDQOUFS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.06604838 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H17N3O4S2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=CO2)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=CO2)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 153 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.06604838 24 0 0 0 0 0 0 0 1 -1