2-benzo[b][1]benzoxepin-5-ylsulfanyl-N-(cyclopropylmethyl)-N-methyl-ethanamine

Systemtic Name: 2-benzo[b][1]benzoxepin-5-ylsulfanyl-N-(cyclopropylmethyl)-N-methyl-ethanamine Openeye Name: 2-benzo[b][1]benzoxepin-5-ylsulfanyl-N-(cyclopropylmethyl)-N-methyl-ethanamine CAS Name: 2-(5-benzo[b][1]benzoxepinylthio)-N-(cyclopropylmethyl)-N-methylethanamine IUPAC Name: 2-benzo[b][1]benzoxepin-5-ylsulfanyl-N-(cyclopropylmethyl)-N-methylethanamine Traditional Name: 2-(benzo[b][1]benzoxepin-5-ylthio)ethyl-(cyclopropylmethyl)-methyl-amine Formula: C21H23NOS MolecularWeight: 337.47842

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCSC1=CC2=CC=CC=C2OC3=CC=CC=C31)CC4CC4

Isomeric SMILES

CN(CCSC1=CC2=CC=CC=C2OC3=CC=CC=C31)CC4CC4

InChI

InChI=1S/C21H23NOS/c1-22(15-16-10-11-16)12-13-24-21-14-17-6-2-4-8-19(17)23-20-9-5-3-7-18(20)21/h2-9,14,16H,10-13,15H2,1H3