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

Systemtic Name: ethyl 4-[(E)-1-azanyl-2-cyano-3-[(phenylmethyl)amino]-3-sulfanylidene-prop-1-enyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-1-amino-3-(benzylamino)-2-cyano-3-thioxo-prop-1-enyl]piperazine-1-carboxylate CAS Name: 4-[(E)-1-amino-2-cyano-3-[(phenylmethyl)amino]-3-sulfanylideneprop-1-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-1-amino-3-(benzylamino)-2-cyano-3-sulfanylideneprop-1-enyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-1-amino-3-(benzylamino)-2-cyano-3-thioxo-prop-1-enyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H23N5O2S MolecularWeight: 373.47252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O2S/c1-2-25-18(24)23-10-8-22(9-11-23)16(20)15(12-19)17(26)21-13-14-6-4-3-5-7-14/h3-7H,2,8-11,13,20H2,1H3,(H,21,26)/b16-15+