ethyl 4-[[2-cyanoethyl-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-cyanoethyl-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[benzyl(2-cyanoethyl)carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[benzyl(2-cyanoethyl)carbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[benzyl(2-cyanoethyl)thiocarbamoyl]amino]-4-keto-butyric acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)N(CCC#N)CC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)N(CCC#N)CC1=CC=CC=C1

InChI

InChI=1S/C17H21N3O3S/c1-2-23-16(22)10-9-15(21)19-17(24)20(12-6-11-18)13-14-7-4-3-5-8-14/h3-5,7-8H,2,6,9-10,12-13H2,1H3,(H,19,21,24)