4-[[[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]carbamothioylamino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]carbamothioylamino]methyl]benzoic acid Openeye Name: 4-[[[4-(2-methylindolin-1-yl)sulfonylphenyl]carbamothioylamino]methyl]benzoic acid CAS Name: 4-[[[[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]phenyl]carbamothioylamino]methyl]benzoic acid Traditional Name: 4-[[[4-(2-methylindolin-1-yl)sulfonylphenyl]thiocarbamoylamino]methyl]benzoic acid Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)NC(=S)NCC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC1CC2=CC=CC=C2N1S(=O)(=O)C3=CC=C(C=C3)NC(=S)NCC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C24H23N3O4S2/c1-16-14-19-4-2-3-5-22(19)27(16)33(30,31)21-12-10-20(11-13-21)26-24(32)25-15-17-6-8-18(9-7-17)23(28)29/h2-13,16H,14-15H2,1H3,(H,28,29)(H2,25,26,32)