5-[3-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-6H-benzo[b][1]benzothiepine-5-carbonitrile

Systemtic Name: 5-[3-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-6H-benzo[b][1]benzothiepine-5-carbonitrile Openeye Name: 5-[3-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]propyl]-6H-benzo[b][1]benzothiepine-5-carbonitrile CAS Name: 5-[3-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]propyl]-6H-benzo[b][1]benzothiepin-5-carbonitrile IUPAC Name: 5-[3-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]propyl]-6H-benzo[b][1]benzothiepine-5-carbonitrile Traditional Name: 5-[3-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]propyl]-6H-benzo[b][1]benzothiepin-5-carbonitrile Formula: C30H30N4OS MolecularWeight: 494.6504

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC4(CC5=CC=CC=C5SC6=CC=CC=C64)C#N

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCCC4(CC5=CC=CC=C5SC6=CC=CC=C64)C#N

InChI

InChI=1S/C30H30N4OS/c31-21-30(20-22-8-1-5-12-27(22)36-28-13-6-2-9-24(28)30)16-7-17-33-18-14-23(15-19-33)34-26-11-4-3-10-25(26)32-29(34)35/h1-6,8-13,23H,7,14-20H2,(H,32,35)