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

Systemtic Name: propyl 4-[[2-cyanoethyl-(phenylmethyl)carbamothioyl]amino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[benzyl(2-cyanoethyl)carbamothioyl]amino]-4-oxo-butanoate CAS Name: 4-[[[2-cyanoethyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[benzyl(2-cyanoethyl)carbamothioyl]amino]-4-oxobutanoate Traditional Name: 4-[[benzyl(2-cyanoethyl)thiocarbamoyl]amino]-4-keto-butyric acid propyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O3S/c1-2-13-24-17(23)10-9-16(22)20-18(25)21(12-6-11-19)14-15-7-4-3-5-8-15/h3-5,7-8H,2,6,9-10,12-14H2,1H3,(H,20,22,25)