N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(3-thienylmethyl)piperazin-1-yl]acetamide CAS Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(3-thiophenylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[4-(3-thenyl)piperazino]acetamide Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CN2CCN(CC2)CC3=CSC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N(CCC#N)C(=O)CN2CCN(CC2)CC3=CSC=C3)C

InChI

InChI=1S/C22H28N4OS/c1-18-4-5-21(14-19(18)2)26(8-3-7-23)22(27)16-25-11-9-24(10-12-25)15-20-6-13-28-17-20/h4-6,13-14,17H,3,8-12,15-16H2,1-2H3