N-(1-phenylethyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(1-phenylethyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(1-phenylethyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(1-phenylethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(1-phenylethyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(1-phenylethyl)piperazine-1-carbothioamide Formula: C19H23N3O2S2 MolecularWeight: 389.53482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2S2/c1-16(17-8-4-2-5-9-17)20-19(25)21-12-14-22(15-13-21)26(23,24)18-10-6-3-7-11-18/h2-11,16H,12-15H2,1H3,(H,20,25)