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

Systemtic Name: N-(3-cyclohexylsulfanylpropyl)-5-[(2-methylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-(3-cyclohexylsulfanylpropyl)-5-(o-tolylmethyl)-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[3-(cyclohexylthio)propyl]-5-[(2-methylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-(3-cyclohexylsulfanylpropyl)-5-[(2-methylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[3-(cyclohexylthio)propyl]-6-keto-5-(2-methylbenzyl)benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C31H34N2O2S2 MolecularWeight: 530.74386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)NCCCSC4CCCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(C=CC(=C3)C(=O)NCCCSC4CCCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C31H34N2O2S2/c1-22-10-5-6-11-24(22)21-33-27-20-23(30(34)32-18-9-19-36-25-12-3-2-4-13-25)16-17-29(27)37-28-15-8-7-14-26(28)31(33)35/h5-8,10-11,14-17,20,25H,2-4,9,12-13,18-19,21H2,1H3,(H,32,34)