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

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

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1(C2=CC=CC=C2CSC3=CC=CC=C31)CCN4CCC(CC4)N5C6=CC=CC=C6NC5=O

Isomeric SMILES

[C-]#[N+]C1(C2=CC=CC=C2CSC3=CC=CC=C31)CCN4CCC(CC4)N5C6=CC=CC=C6NC5=O

InChI

InChI=1S/C29H28N4OS/c1-30-29(23-9-3-2-8-21(23)20-35-27-13-7-4-10-24(27)29)16-19-32-17-14-22(15-18-32)33-26-12-6-5-11-25(26)31-28(33)34/h2-13,22H,14-20H2,(H,31,34)