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

Systemtic Name: N-butyl-6-(6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methyl-hexan-1-amine Openeye Name: N-butyl-6-(6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methyl-hexan-1-amine CAS Name: N-butyl-6-(6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methyl-1-hexanamine IUPAC Name: N-butyl-6-(6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methylhexan-1-amine Traditional Name: butyl-[6-(6,7-dihydro-[1]benzothiepin[5,4-b]indol-12-yl)hexyl]-methyl-amine Formula: C27H36N2S MolecularWeight: 420.65314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CCCCCCN1C2=CC=CC=C2C3=C1C4=CC=CC=C4SCC3

Isomeric SMILES

CCCCN(C)CCCCCCN1C2=CC=CC=C2C3=C1C4=CC=CC=C4SCC3

InChI

InChI=1S/C27H36N2S/c1-3-4-18-28(2)19-11-5-6-12-20-29-25-15-9-7-13-22(25)23-17-21-30-26-16-10-8-14-24(26)27(23)29/h7-10,13-16H,3-6,11-12,17-21H2,1-2H3