3-[1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C30H30N4OS MolecularWeight: 494.6504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1(C2=CC=CC=C2CSC3=CC=CC=C31)CCCN4CCC(CC4)N5C6=CC=CC=C6NC5=O

Isomeric SMILES

[C-]#[N+]C1(C2=CC=CC=C2CSC3=CC=CC=C31)CCCN4CCC(CC4)N5C6=CC=CC=C6NC5=O

InChI

InChI=1S/C30H30N4OS/c1-31-30(24-10-3-2-9-22(24)21-36-28-14-7-4-11-25(28)30)17-8-18-33-19-15-23(16-20-33)34-27-13-6-5-12-26(27)32-29(34)35/h2-7,9-14,23H,8,15-21H2,(H,32,35)