2-(3-ethylbenzo[b][1]benzoxepin-5-yl)sulfanyl-N-methyl-ethanamine

Systemtic Name: 2-(3-ethylbenzo[b][1]benzoxepin-5-yl)sulfanyl-N-methyl-ethanamine Openeye Name: 2-(3-ethylbenzo[b][1]benzoxepin-5-yl)sulfanyl-N-methyl-ethanamine CAS Name: 2-[(3-ethyl-5-benzo[b][1]benzoxepinyl)thio]-N-methylethanamine IUPAC Name: 2-(3-ethylbenzo[b][1]benzoxepin-5-yl)sulfanyl-N-methylethanamine Traditional Name: 2-[(3-ethylbenzo[b][1]benzoxepin-5-yl)thio]ethyl-methyl-amine Formula: C19H21NOS MolecularWeight: 311.44114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC3=CC=CC=C3C=C2SCCNC

Isomeric SMILES

CCC1=CC2=C(C=C1)OC3=CC=CC=C3C=C2SCCNC

InChI

InChI=1S/C19H21NOS/c1-3-14-8-9-18-16(12-14)19(22-11-10-20-2)13-15-6-4-5-7-17(15)21-18/h4-9,12-13,20H,3,10-11H2,1-2H3