1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-methyl-piperazine

Systemtic Name: 1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-methyl-piperazine Openeye Name: 1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-methyl-piperazine CAS Name: 1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-methylpiperazine IUPAC Name: 1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-methylpiperazine Traditional Name: 1-[3-(11-isocyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-4-methyl-piperazine Formula: C23H27N3S MolecularWeight: 377.54558

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCC2(C3=CC=CC=C3CSC4=CC=CC=C42)[N+]#[C-]

Isomeric SMILES

CN1CCN(CC1)CCCC2(C3=CC=CC=C3CSC4=CC=CC=C42)[N+]#[C-]

InChI

InChI=1S/C23H27N3S/c1-24-23(12-7-13-26-16-14-25(2)15-17-26)20-9-4-3-8-19(20)18-27-22-11-6-5-10-21(22)23/h3-6,8-11H,7,12-18H2,2H3