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

Systemtic Name: 4-(2-cyanoethyl)-N-[2-(4-ethoxyphenyl)-1-phenyl-ethyl]piperazine-1-carbothioamide Openeye Name: 4-(2-cyanoethyl)-N-[2-(4-ethoxyphenyl)-1-phenyl-ethyl]piperazine-1-carbothioamide CAS Name: 4-(2-cyanoethyl)-N-[2-(4-ethoxyphenyl)-1-phenylethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-cyanoethyl)-N-[2-(4-ethoxyphenyl)-1-phenylethyl]piperazine-1-carbothioamide Traditional Name: 4-(2-cyanoethyl)-N-(1-phenyl-2-p-phenetyl-ethyl)piperazine-1-carbothioamide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=S)N3CCN(CC3)CCC#N

Isomeric SMILES

CCOC1=CC=C(C=C1)CC(C2=CC=CC=C2)NC(=S)N3CCN(CC3)CCC#N

InChI

InChI=1S/C24H30N4OS/c1-2-29-22-11-9-20(10-12-22)19-23(21-7-4-3-5-8-21)26-24(30)28-17-15-27(16-18-28)14-6-13-25/h3-5,7-12,23H,2,6,14-19H2,1H3,(H,26,30)