ethyl (2R)-3-azanylidene-2-[(phenylmethyl)carbamothioyl]butanoate

Systemtic Name: ethyl (2R)-3-azanylidene-2-[(phenylmethyl)carbamothioyl]butanoate Openeye Name: ethyl (2R)-2-(benzylcarbamothioyl)-3-imino-butanoate CAS Name: (2R)-3-imino-2-[[(phenylmethyl)amino]-sulfanylidenemethyl]butanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-(benzylcarbamothioyl)-3-iminobutanoate Traditional Name: (2R)-2-(benzylthiocarbamoyl)-3-imino-butyric acid ethyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=N)C)C(=S)NCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@@H](C(=N)C)C(=S)NCC1=CC=CC=C1

InChI

InChI=1S/C14H18N2O2S/c1-3-18-14(17)12(10(2)15)13(19)16-9-11-7-5-4-6-8-11/h4-8,12,15H,3,9H2,1-2H3,(H,16,19)/t12-/m0/s1