11-[2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile

Systemtic Name: 11-[2-[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile Openeye Name: 11-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidyl]ethyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile CAS Name: 11-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinyl]ethyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile IUPAC Name: 11-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]-6H-benzo[c][1]benzothiepine-11-carbonitrile Traditional Name: 11-[2-[4-(2-keto-3H-benzimidazol-1-yl)piperidino]ethyl]-6H-benzo[c][1]benzothiepin-11-carbonitrile Formula: C29H28N4OS MolecularWeight: 480.62382

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCC4(C5=CC=CC=C5CSC6=CC=CC=C64)C#N

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CCC4(C5=CC=CC=C5CSC6=CC=CC=C64)C#N

InChI

InChI=1S/C29H28N4OS/c30-20-29(23-8-2-1-7-21(23)19-35-27-12-6-3-9-24(27)29)15-18-32-16-13-22(14-17-32)33-26-11-5-4-10-25(26)31-28(33)34/h1-12,22H,13-19H2,(H,31,34)