ethyl (E)-3-azanyl-2-[(phenylmethyl)carbamothioyl]but-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-2-[(phenylmethyl)carbamothioyl]but-2-enoate Openeye Name: ethyl (E)-3-amino-2-(benzylcarbamothioyl)but-2-enoate CAS Name: (E)-3-amino-2-[[(phenylmethyl)amino]-sulfanylidenemethyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-(benzylcarbamothioyl)but-2-enoate Traditional Name: (E)-3-amino-2-(benzylthiocarbamoyl)but-2-enoic acid ethyl ester Formula: C14H18N2O2S MolecularWeight: 278.36992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)/C(=C(/C)\N)/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/h4-8H,3,9,15H2,1-2H3,(H,16,19)/b12-10-