N-(3-methoxypropyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-methoxypropyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(3-methoxypropyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(3-methoxypropyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(3-methoxypropyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(3-methoxypropyl)piperazine-1-carbothioamide Formula: C15H23N3O3S2 MolecularWeight: 357.49142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

COCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H23N3O3S2/c1-21-13-5-8-16-15(22)17-9-11-18(12-10-17)23(19,20)14-6-3-2-4-7-14/h2-4,6-7H,5,8-13H2,1H3,(H,16,22)