ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate CAS Name: 4-[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]piperazine-1-carboxylate Traditional Name: 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)NC2=C(C3=C(S2)CCCC3)C#N

InChI

InChI=1S/C17H22N4O3S/c1-2-24-17(23)21-9-7-20(8-10-21)16(22)19-15-13(11-18)12-5-3-4-6-14(12)25-15/h2-10H2,1H3,(H,19,22)