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

Systemtic Name: N-butyl-5-(6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methyl-pentan-1-amine; iodanylmethane Openeye Name: N-butyl-5-(6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methyl-pentan-1-amine; iodomethane CAS Name: N-butyl-5-(6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methyl-1-pentanamine; iodomethane IUPAC Name: N-butyl-5-(6,7-dihydro-[1]benzothiepino[5,4-b]indol-12-yl)-N-methylpentan-1-amine; iodomethane Traditional Name: butyl-[5-(6,7-dihydro-[1]benzothiepin[5,4-b]indol-12-yl)pentyl]-methyl-amine; iodomethane Formula: C27H37IN2S MolecularWeight: 548.56555

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CCCCCN1C2=CC=CC=C2C3=C1C4=CC=CC=C4SCC3.CI

Isomeric SMILES

CCCCN(C)CCCCCN1C2=CC=CC=C2C3=C1C4=CC=CC=C4SCC3.CI

InChI

InChI=1S/C26H34N2S.CH3I/c1-3-4-17-27(2)18-10-5-11-19-28-24-14-8-6-12-21(24)22-16-20-29-25-15-9-7-13-23(25)26(22)28;1-2/h6-9,12-15H,3-5,10-11,16-20H2,1-2H3;1H3