N-(2-methylphenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-methylphenyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-(o-tolyl)piperazine-1-carbothioamide CAS Name: N-(2-methylphenyl)-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-(2-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-(o-tolyl)piperazine-1-carbothioamide Formula: C19H23N3O2S2 MolecularWeight: 389.53482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

InChI

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