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

Systemtic Name: 4-(2-cyanoethyl)-N-[2-(4-methoxyphenyl)-1-phenyl-ethyl]piperazine-1-carbothioamide Openeye Name: 4-(2-cyanoethyl)-N-[2-(4-methoxyphenyl)-1-phenyl-ethyl]piperazine-1-carbothioamide CAS Name: 4-(2-cyanoethyl)-N-[2-(4-methoxyphenyl)-1-phenylethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-cyanoethyl)-N-[2-(4-methoxyphenyl)-1-phenylethyl]piperazine-1-carbothioamide Traditional Name: 4-(2-cyanoethyl)-N-[2-(4-methoxyphenyl)-1-phenyl-ethyl]piperazine-1-carbothioamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=S)N3CCN(CC3)CCC#N

Isomeric SMILES

COC1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=S)N3CCN(CC3)CCC#N

InChI

InChI=1S/C23H28N4OS/c1-28-21-10-8-19(9-11-21)18-22(20-6-3-2-4-7-20)25-23(29)27-16-14-26(15-17-27)13-5-12-24/h2-4,6-11,22H,5,13-18H2,1H3,(H,25,29)