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

Systemtic Name: 3-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-4-methyl-benzoic acid Openeye Name: 3-[(4-indolin-1-ylsulfonylphenyl)carbamothioylamino]-4-methyl-benzoic acid CAS Name: 3-[[[4-(2,3-dihydroindol-1-ylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]carbamothioylamino]-4-methylbenzoic acid Traditional Name: 3-[(4-indolin-1-ylsulfonylphenyl)thiocarbamoylamino]-4-methyl-benzoic acid Formula: C23H21N3O4S2 MolecularWeight: 467.56054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C43

InChI

InChI=1S/C23H21N3O4S2/c1-15-6-7-17(22(27)28)14-20(15)25-23(31)24-18-8-10-19(11-9-18)32(29,30)26-13-12-16-4-2-3-5-21(16)26/h2-11,14H,12-13H2,1H3,(H,27,28)(H2,24,25,31)