ethyl 4-[(E)-1-azanyl-2-ethoxycarbonyl-3-[(phenylmethyl)amino]-3-sulfanylidene-prop-1-enyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-1-azanyl-2-ethoxycarbonyl-3-[(phenylmethyl)amino]-3-sulfanylidene-prop-1-enyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-1-amino-2-(benzylcarbamothioyl)-3-ethoxy-3-oxo-prop-1-enyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-amino-2-ethoxycarbonyl-3-[(phenylmethyl)amino]-3-sulfanylideneprop-1-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-1-amino-2-(benzylcarbamothioyl)-3-ethoxy-3-oxoprop-1-enyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-1-amino-2-(benzylthiocarbamoyl)-3-ethoxy-3-keto-prop-1-enyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)N1CCN(CC1)C(=O)OCC)C(=S)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C(/N)\N1CCN(CC1)C(=O)OCC)/C(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C20H28N4O4S/c1-3-27-19(25)16(18(29)22-14-15-8-6-5-7-9-15)17(21)23-10-12-24(13-11-23)20(26)28-4-2/h5-9H,3-4,10-14,21H2,1-2H3,(H,22,29)/b17-16-