2-[[5-[(phenylmethyl)carbamothioylamino]indol-1-yl]methyl]benzoic acid

Systemtic Name: 2-[[5-[(phenylmethyl)carbamothioylamino]indol-1-yl]methyl]benzoic acid Openeye Name: 2-[[5-(benzylcarbamothioylamino)indol-1-yl]methyl]benzoic acid CAS Name: 2-[[5-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-1-indolyl]methyl]benzoic acid IUPAC Name: 2-[[5-(benzylcarbamothioylamino)indol-1-yl]methyl]benzoic acid Traditional Name: 2-[[5-(benzylthiocarbamoylamino)indol-1-yl]methyl]benzoic acid Formula: C24H21N3O2S MolecularWeight: 415.50744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC2=CC3=C(C=C2)N(C=C3)CC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C24H21N3O2S/c28-23(29)21-9-5-4-8-19(21)16-27-13-12-18-14-20(10-11-22(18)27)26-24(30)25-15-17-6-2-1-3-7-17/h1-14H,15-16H2,(H,28,29)(H2,25,26,30)