3-[3-[4-(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one

Systemtic Name: 3-[3-[4-(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one Openeye Name: 3-[3-[4-(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one CAS Name: 3-[3-[4-(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-1-piperazinyl]propyl]-1H-benzimidazol-2-one IUPAC Name: 3-[3-[4-(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazin-1-yl]propyl]-1H-benzimidazol-2-one Traditional Name: 3-[3-[4-(2-methyl-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)piperazino]propyl]-1H-benzimidazol-2-one Formula: C29H32N4OS MolecularWeight: 484.65558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2N4CCN(CC4)CCCN5C6=CC=CC=C6NC5=O

Isomeric SMILES

CC1=CC2=C(C=C1)SCC3=CC=CC=C3C2N4CCN(CC4)CCCN5C6=CC=CC=C6NC5=O

InChI

InChI=1S/C29H32N4OS/c1-21-11-12-27-24(19-21)28(23-8-3-2-7-22(23)20-35-27)32-17-15-31(16-18-32)13-6-14-33-26-10-5-4-9-25(26)30-29(33)34/h2-5,7-12,19,28H,6,13-18,20H2,1H3,(H,30,34)