N-butyl-5-(3,9-dimethoxy-6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methyl-pentan-1-amine

Systemtic Name: N-butyl-5-(3,9-dimethoxy-6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methyl-pentan-1-amine Openeye Name: N-butyl-5-(3,9-dimethoxy-6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methyl-pentan-1-amine CAS Name: N-butyl-5-(3,9-dimethoxy-6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methyl-1-pentanamine IUPAC Name: N-butyl-5-(3,9-dimethoxy-6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methylpentan-1-amine Traditional Name: butyl-[5-(3,9-dimethoxy-6,7-dihydro-[1]benzothiepin[5,4-b]indol-12-yl)pentyl]-methyl-amine Formula: C28H38N2O2S MolecularWeight: 466.67852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CCCCCN1C2=C(C=C(C=C2)OC)C3=C1C4=C(C=C(C=C4)OC)SCC3

Isomeric SMILES

CCCCN(C)CCCCCN1C2=C(C=C(C=C2)OC)C3=C1C4=C(C=C(C=C4)OC)SCC3

InChI

InChI=1S/C28H38N2O2S/c1-5-6-15-29(2)16-8-7-9-17-30-26-13-11-21(31-3)19-25(26)23-14-18-33-27-20-22(32-4)10-12-24(27)28(23)30/h10-13,19-20H,5-9,14-18H2,1-4H3