4-(2-cyanoethyl)-N-[2-(3-methylphenyl)-1-phenyl-ethyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2-cyanoethyl)-N-[2-(3-methylphenyl)-1-phenyl-ethyl]piperazine-1-carbothioamide Openeye Name: 4-(2-cyanoethyl)-N-[2-(m-tolyl)-1-phenyl-ethyl]piperazine-1-carbothioamide CAS Name: 4-(2-cyanoethyl)-N-[2-(3-methylphenyl)-1-phenylethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-cyanoethyl)-N-[2-(3-methylphenyl)-1-phenylethyl]piperazine-1-carbothioamide Traditional Name: 4-(2-cyanoethyl)-N-[2-(m-tolyl)-1-phenyl-ethyl]piperazine-1-carbothioamide Formula: C23H28N4S MolecularWeight: 392.56022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(C2=CC=CC=C2)NC(=S)N3CCN(CC3)CCC#N

Isomeric SMILES

CC1=CC(=CC=C1)CC(C2=CC=CC=C2)NC(=S)N3CCN(CC3)CCC#N

InChI

InChI=1S/C23H28N4S/c1-19-7-5-8-20(17-19)18-22(21-9-3-2-4-10-21)25-23(28)27-15-13-26(14-16-27)12-6-11-24/h2-5,7-10,17,22H,6,12-16,18H2,1H3,(H,25,28)