phenyl N-(2-benzo[b][1]benzothiepin-5-ylsulfanylethyl)-N-methyl-carbamate

Systemtic Name: phenyl N-(2-benzo[b][1]benzothiepin-5-ylsulfanylethyl)-N-methyl-carbamate Openeye Name: phenyl N-(2-benzo[b][1]benzothiepin-5-ylsulfanylethyl)-N-methyl-carbamate CAS Name: N-[2-(5-benzo[b][1]benzothiepinylthio)ethyl]-N-methylcarbamic acid phenyl ester IUPAC Name: phenyl N-(2-benzo[b][1]benzothiepin-5-ylsulfanylethyl)-N-methylcarbamate Traditional Name: N-[2-(benzo[b][1]benzothiepin-5-ylthio)ethyl]-N-methyl-carbamic acid phenyl ester Formula: C24H21NO2S2 MolecularWeight: 419.55904

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCSC1=CC2=CC=CC=C2SC3=CC=CC=C31)C(=O)OC4=CC=CC=C4

Isomeric SMILES

CN(CCSC1=CC2=CC=CC=C2SC3=CC=CC=C31)C(=O)OC4=CC=CC=C4

InChI

InChI=1S/C24H21NO2S2/c1-25(24(26)27-19-10-3-2-4-11-19)15-16-28-23-17-18-9-5-7-13-21(18)29-22-14-8-6-12-20(22)23/h2-14,17H,15-16H2,1H3