N-[2-(4-methoxyphenyl)ethyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-[2-(4-methoxyphenyl)ethyl]-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide Traditional Name: 4-besyl-N-[2-(4-methoxyphenyl)ethyl]piperazine-1-carbothioamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c1-26-18-9-7-17(8-10-18)11-12-21-20(27)22-13-15-23(16-14-22)28(24,25)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,21,27)