3a-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-butyl-1,4,5,6,7,7a-hexahydrobenzimidazol-2-one

Systemtic Name: 3a-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-butyl-1,4,5,6,7,7a-hexahydrobenzimidazol-2-one Openeye Name: 3a-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-butyl-1,4,5,6,7,7a-hexahydrobenzimidazol-2-one CAS Name: 3a-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-3-butyl-1,4,5,6,7,7a-hexahydrobenzimidazol-2-one IUPAC Name: 3a-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-3-butyl-1,4,5,6,7,7a-hexahydrobenzimidazol-2-one Traditional Name: 3a-[4-(1,2-benzothiazol-3-yl)piperazino]-3-butyl-1,4,5,6,7,7a-hexahydrobenzimidazol-2-one Formula: C22H31N5OS MolecularWeight: 413.57944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NC2C1(CCCC2)N3CCN(CC3)C4=NSC5=CC=CC=C54

Isomeric SMILES

CCCCN1C(=O)NC2C1(CCCC2)N3CCN(CC3)C4=NSC5=CC=CC=C54

InChI

InChI=1S/C22H31N5OS/c1-2-3-12-27-21(28)23-19-10-6-7-11-22(19,27)26-15-13-25(14-16-26)20-17-8-4-5-9-18(17)29-24-20/h4-5,8-9,19H,2-3,6-7,10-16H2,1H3,(H,23,28)