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

Systemtic Name: N-[(4-methoxyphenyl)methyl]-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]piperazine-1-carbothioamide Traditional Name: 4-besyl-N-p-anisyl-piperazine-1-carbothioamide Formula: C19H23N3O3S2 MolecularWeight: 405.53422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O3S2/c1-25-17-9-7-16(8-10-17)15-20-19(26)21-11-13-22(14-12-21)27(23,24)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,20,26)