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

Systemtic Name: N-(2-phenylsulfanylethyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-[2-(phenylthio)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(2-phenylsulfanylethyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-[2-(phenylthio)ethyl]piperazine-1-carbothioamide Formula: C19H23N3O2S3 MolecularWeight: 421.59982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=S)NCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S3/c23-27(24,18-9-5-2-6-10-18)22-14-12-21(13-15-22)19(25)20-11-16-26-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,20,25)