N-[2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanylethyl]-N-propan-2-yl-propan-2-amine

Systemtic Name: N-[2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanylethyl]-N-propan-2-yl-propan-2-amine Openeye Name: N-isopropyl-N-[2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanylethyl]propan-2-amine CAS Name: N-[2-[[3-(methylthio)-5-benzo[b][1]benzoxepinyl]thio]ethyl]-N-propan-2-yl-2-propanamine IUPAC Name: N-[2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanylethyl]-N-propan-2-ylpropan-2-amine Traditional Name: diisopropyl-[2-[[3-(methylthio)benzo[b][1]benzoxepin-5-yl]thio]ethyl]amine Formula: C23H29NOS2 MolecularWeight: 399.61246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)SC)C(C)C

Isomeric SMILES

CC(C)N(CCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)SC)C(C)C

InChI

InChI=1S/C23H29NOS2/c1-16(2)24(17(3)4)12-13-27-23-14-18-8-6-7-9-21(18)25-22-11-10-19(26-5)15-20(22)23/h6-11,14-17H,12-13H2,1-5H3