methyl 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)anilino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H23N3O4S3 MolecularWeight: 501.64142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C23H23N3O4S3/c1-15-14-19(22(27)30-2)21(32-15)25-23(31)24-17-9-11-18(12-10-17)33(28,29)26-13-5-7-16-6-3-4-8-20(16)26/h3-4,6,8-12,14H,5,7,13H2,1-2H3,(H2,24,25,31)