3-(1H-indol-3-yl)-2-[(phenylmethyl)carbamothioylamino]propanoic acid

Systemtic Name: 3-(1H-indol-3-yl)-2-[(phenylmethyl)carbamothioylamino]propanoic acid Openeye Name: 2-(benzylcarbamothioylamino)-3-(1H-indol-3-yl)propanoic acid CAS Name: 3-(1H-indol-3-yl)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]propanoic acid IUPAC Name: 2-(benzylcarbamothioylamino)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-(benzylthiocarbamoylamino)-3-(1H-indol-3-yl)propionic acid Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C19H19N3O2S/c23-18(24)17(10-14-12-20-16-9-5-4-8-15(14)16)22-19(25)21-11-13-6-2-1-3-7-13/h1-9,12,17,20H,10-11H2,(H,23,24)(H2,21,22,25)