methyl 6-methoxy-3-[(phenylmethyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: methyl 6-methoxy-3-[(phenylmethyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: methyl 3-(benzylcarbamothioylamino)-6-methoxy-1H-indole-2-carboxylate CAS Name: 6-methoxy-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzylcarbamothioylamino)-6-methoxy-1H-indole-2-carboxylate Traditional Name: 3-(benzylthiocarbamoylamino)-6-methoxy-1H-indole-2-carboxylic acid methyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O3S/c1-24-13-8-9-14-15(10-13)21-17(18(23)25-2)16(14)22-19(26)20-11-12-6-4-3-5-7-12/h3-10,21H,11H2,1-2H3,(H2,20,22,26)