ethyl 5-methoxy-3-[(phenylmethyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 5-methoxy-3-[(phenylmethyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-(benzylcarbamothioylamino)-5-methoxy-1H-indole-2-carboxylate CAS Name: 5-methoxy-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(benzylcarbamothioylamino)-5-methoxy-1H-indole-2-carboxylate Traditional Name: 3-(benzylthiocarbamoylamino)-5-methoxy-1H-indole-2-carboxylic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)OC)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O3S/c1-3-26-19(24)18-17(15-11-14(25-2)9-10-16(15)22-18)23-20(27)21-12-13-7-5-4-6-8-13/h4-11,22H,3,12H2,1-2H3,(H2,21,23,27)