N-[3-(7-butoxy-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-N-ethyl-benzeneamine oxide

Systemtic Name: N-[3-(7-butoxy-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-N-ethyl-benzeneamine oxide Openeye Name: N-[3-(7-butoxy-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-N-ethyl-benzeneamine oxide CAS Name: N-[3-(7-butoxy-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-N-ethylbenzeneamine oxide IUPAC Name: N-[3-(7-butoxy-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-N-ethylbenzeneamine oxide Traditional Name: N-[3-(7-butoxy-11-cyano-6H-benzo[c][1]benzothiepin-11-yl)propyl]-N-ethyl-benzeneamine oxide Formula: C30H34N2O2S MolecularWeight: 486.66816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC2=C1CSC3=CC=CC=C3C2(CCC[N+](CC)(C4=CC=CC=C4)[O-])C#N

Isomeric SMILES

CCCCOC1=CC=CC2=C1CSC3=CC=CC=C3C2(CCC[N+](CC)(C4=CC=CC=C4)[O-])C#N

InChI

InChI=1S/C30H34N2O2S/c1-3-5-21-34-28-17-11-16-26-25(28)22-35-29-18-10-9-15-27(29)30(26,23-31)19-12-20-32(33,4-2)24-13-7-6-8-14-24/h6-11,13-18H,3-5,12,19-22H2,1-2H3