N-[2-(4-chlorophenyl)sulfanylethyl]-3-oxidanylidene-piperazine-1-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3-oxidanylidene-piperazine-1-carbothioamide Openeye Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3-oxo-piperazine-1-carbothioamide CAS Name: N-[2-[(4-chlorophenyl)thio]ethyl]-3-oxo-1-piperazinecarbothioamide IUPAC Name: N-[2-(4-chlorophenyl)sulfanylethyl]-3-oxopiperazine-1-carbothioamide Traditional Name: N-[2-[(4-chlorophenyl)thio]ethyl]-3-keto-piperazine-1-carbothioamide Formula: C13H16ClN3OS2 MolecularWeight: 329.86864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C(=S)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CN(CC(=O)N1)C(=S)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H16ClN3OS2/c14-10-1-3-11(4-2-10)20-8-6-16-13(19)17-7-5-15-12(18)9-17/h1-4H,5-9H2,(H,15,18)(H,16,19)