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

Systemtic Name: methyl 4-[[2-cyanoethyl-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[benzyl(2-cyanoethyl)carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[benzyl(2-cyanoethyl)carbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[benzyl(2-cyanoethyl)thiocarbamoyl]amino]-4-keto-butyric acid methyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-22-15(21)9-8-14(20)18-16(23)19(11-5-10-17)12-13-6-3-2-4-7-13/h2-4,6-7H,5,8-9,11-12H2,1H3,(H,18,20,23)