N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazine-1-carboxamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-4-[2-(4-methylanilino)-2-oxo-ethyl]piperazine-1-carboxamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazinecarboxamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-4-[2-(4-methylanilino)-2-oxoethyl]piperazine-1-carboxamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-4-[2-keto-2-(p-toluidino)ethyl]piperazine-1-carboxamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)NC3=C(C(=C(S3)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCN(CC2)C(=O)NC3=C(C(=C(S3)C)C)C#N

InChI

InChI=1S/C21H25N5O2S/c1-14-4-6-17(7-5-14)23-19(27)13-25-8-10-26(11-9-25)21(28)24-20-18(12-22)15(2)16(3)29-20/h4-7H,8-11,13H2,1-3H3,(H,23,27)(H,24,28)