N,N-diethyl-2-[(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]ethanamine

Systemtic Name: N,N-diethyl-2-[(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]ethanamine Openeye Name: N,N-diethyl-2-[(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]ethanamine CAS Name: N,N-diethyl-2-[(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)thio]ethanamine IUPAC Name: N,N-diethyl-2-[(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)sulfanyl]ethanamine Traditional Name: diethyl-[2-[(2-methyl-6,11-dihydrobenzo[c][1]benzoxepin-11-yl)thio]ethyl]amine Formula: C21H27NOS MolecularWeight: 341.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCSC1C2=CC=CC=C2COC3=C1C=C(C=C3)C

Isomeric SMILES

CCN(CC)CCSC1C2=CC=CC=C2COC3=C1C=C(C=C3)C

InChI

InChI=1S/C21H27NOS/c1-4-22(5-2)12-13-24-21-18-9-7-6-8-17(18)15-23-20-11-10-16(3)14-19(20)21/h6-11,14,21H,4-5,12-13,15H2,1-3H3