phenyl N-methyl-N-[2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanylethyl]carbamate

Systemtic Name: phenyl N-methyl-N-[2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanylethyl]carbamate Openeye Name: phenyl N-methyl-N-[2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanylethyl]carbamate CAS Name: N-methyl-N-[2-[[3-(methylthio)-5-benzo[b][1]benzoxepinyl]thio]ethyl]carbamic acid phenyl ester IUPAC Name: phenyl N-methyl-N-[2-(3-methylsulfanylbenzo[b][1]benzoxepin-5-yl)sulfanylethyl]carbamate Traditional Name: N-methyl-N-[2-[[3-(methylthio)benzo[b][1]benzoxepin-5-yl]thio]ethyl]carbamic acid phenyl ester Formula: C25H23NO3S2 MolecularWeight: 449.58502

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)SC)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CN(CCSC1=CC2=CC=CC=C2OC3=C1C=C(C=C3)SC)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C25H23NO3S2/c1-26(25(27)28-19-9-4-3-5-10-19)14-15-31-24-16-18-8-6-7-11-22(18)29-23-13-12-20(30-2)17-21(23)24/h3-13,16-17H,14-15H2,1-2H3