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

Systemtic Name: ethyl 4-[(E)-1-azanyl-2-ethoxycarbonyl-3-phenylazanyl-3-sulfanylidene-prop-1-enyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-1-amino-3-anilino-2-ethoxycarbonyl-3-thioxo-prop-1-enyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-amino-2-[anilino(sulfanylidene)methyl]-3-ethoxy-3-oxoprop-1-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-1-amino-3-anilino-2-ethoxycarbonyl-3-sulfanylideneprop-1-enyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-1-amino-3-anilino-2-carbethoxy-3-thioxo-prop-1-enyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H26N4O4S MolecularWeight: 406.49914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N)N1CCN(CC1)C(=O)OCC)C(=S)NC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C(=C(/N)\N1CCN(CC1)C(=O)OCC)/C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C19H26N4O4S/c1-3-26-18(24)15(17(28)21-14-8-6-5-7-9-14)16(20)22-10-12-23(13-11-22)19(25)27-4-2/h5-9H,3-4,10-13,20H2,1-2H3,(H,21,28)/b16-15-