4-(4-ethanoylphenyl)-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethanoylphenyl)-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-[2-(phenylthio)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-[2-(phenylthio)ethyl]piperazine-1-carbothioamide Formula: C21H25N3OS2 MolecularWeight: 399.5727

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS2/c1-17(25)18-7-9-19(10-8-18)23-12-14-24(15-13-23)21(26)22-11-16-27-20-5-3-2-4-6-20/h2-10H,11-16H2,1H3,(H,22,26)