ethyl 3-[(4-ethoxyphenyl)carbamothioylamino]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-[(4-ethoxyphenyl)carbamothioylamino]-1H-indole-2-carboxylate Openeye Name: ethyl 3-[(4-ethoxyphenyl)carbamothioylamino]-1H-indole-2-carboxylate CAS Name: 3-[[(4-ethoxyanilino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-ethoxyphenyl)carbamothioylamino]-1H-indole-2-carboxylate Traditional Name: 3-(p-phenetylthiocarbamoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)NC2=C(NC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)NC2=C(NC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C20H21N3O3S/c1-3-25-14-11-9-13(10-12-14)21-20(27)23-17-15-7-5-6-8-16(15)22-18(17)19(24)26-4-2/h5-12,22H,3-4H2,1-2H3,(H2,21,23,27)