N-[2-(4-chlorophenyl)sulfanylethyl]-4-(phenylcarbonyl)piperazine-1-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-4-(phenylcarbonyl)piperazine-1-carbothioamide Openeye Name: 4-benzoyl-N-[2-(4-chlorophenyl)sulfanylethyl]piperazine-1-carbothioamide CAS Name: 4-benzoyl-N-[2-[(4-chlorophenyl)thio]ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-benzoyl-N-[2-(4-chlorophenyl)sulfanylethyl]piperazine-1-carbothioamide Traditional Name: 4-benzoyl-N-[2-[(4-chlorophenyl)thio]ethyl]piperazine-1-carbothioamide Formula: C20H22ClN3OS2 MolecularWeight: 419.99118

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=S)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=S)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3OS2/c21-17-6-8-18(9-7-17)27-15-10-22-20(26)24-13-11-23(12-14-24)19(25)16-4-2-1-3-5-16/h1-9H,10-15H2,(H,22,26)