ethyl 3-(phenethylcarbamothioylamino)-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-(phenethylcarbamothioylamino)-1H-indole-2-carboxylate Openeye Name: ethyl 3-(phenethylcarbamothioylamino)-1H-indole-2-carboxylate CAS Name: 3-[[(phenethylamino)-sulfanylidenemethyl]amino]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(phenethylcarbamothioylamino)-1H-indole-2-carboxylate Traditional Name: 3-(phenethylthiocarbamoylamino)-1H-indole-2-carboxylic acid ethyl ester Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-2-25-19(24)18-17(15-10-6-7-11-16(15)22-18)23-20(26)21-13-12-14-8-4-3-5-9-14/h3-11,22H,2,12-13H2,1H3,(H2,21,23,26)