N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazine-1-carboxamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazine-1-carboxamide Openeye Name: 4-(2-anilino-2-oxo-ethyl)-N-(3-cyano-4,5-dimethyl-2-thienyl)piperazine-1-carboxamide CAS Name: 4-(2-anilino-2-oxoethyl)-N-(3-cyano-4,5-dimethyl-2-thiophenyl)-1-piperazinecarboxamide IUPAC Name: 4-(2-anilino-2-oxoethyl)-N-(3-cyano-4,5-dimethylthiophen-2-yl)piperazine-1-carboxamide Traditional Name: 4-(2-anilino-2-keto-ethyl)-N-(3-cyano-4,5-dimethyl-2-thienyl)piperazine-1-carboxamide Formula: C20H23N5O2S MolecularWeight: 397.49392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C20H23N5O2S/c1-14-15(2)28-19(17(14)12-21)23-20(27)25-10-8-24(9-11-25)13-18(26)22-16-6-4-3-5-7-16/h3-7H,8-11,13H2,1-2H3,(H,22,26)(H,23,27)