N-(3-butylsulfanylpropyl)-5-[(2-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-(3-butylsulfanylpropyl)-5-[(2-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-butylsulfanylpropyl)-5-(o-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-(butylthio)propyl]-5-[(2-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-butylsulfanylpropyl)-5-[(2-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-(butylthio)propyl]-6-keto-5-(2-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C29H32N2O2S2 MolecularWeight: 504.70658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4C

Isomeric SMILES

CCCCSCCCNC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4C

InChI

InChI=1S/C29H32N2O2S2/c1-3-4-17-34-18-9-16-30-28(32)22-14-15-27-25(19-22)31(20-23-11-6-5-10-21(23)2)29(33)24-12-7-8-13-26(24)35-27/h5-8,10-15,19H,3-4,9,16-18,20H2,1-2H3,(H,30,32)