methyl 3-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[(4-indolin-1-ylsulfonylphenyl)carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C24H21N3O5S2 MolecularWeight: 495.57064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C24H21N3O5S2/c1-32-23(29)18-7-4-6-17(15-18)22(28)26-24(33)25-19-9-11-20(12-10-19)34(30,31)27-14-13-16-5-2-3-8-21(16)27/h2-12,15H,13-14H2,1H3,(H2,25,26,28,33)