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

Systemtic Name: N-cyclopentyl-5-[(2,5-dimethylphenyl)methyl]-6-oxidanylidene-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-cyclopentyl-5-[(2,5-dimethylphenyl)methyl]-6-oxo-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-cyclopentyl-5-[(2,5-dimethylphenyl)methyl]-6-oxo-3-benzo[b][1,4]benzothiazepinecarboxamide IUPAC Name: N-cyclopentyl-5-[(2,5-dimethylphenyl)methyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-cyclopentyl-5-(2,5-dimethylbenzyl)-6-keto-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)NC4CCCC4)SC5=CC=CC=C5C2=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=CC(=C3)C(=O)NC4CCCC4)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C28H28N2O2S/c1-18-11-12-19(2)21(15-18)17-30-24-16-20(27(31)29-22-7-3-4-8-22)13-14-26(24)33-25-10-6-5-9-23(25)28(30)32/h5-6,9-16,22H,3-4,7-8,17H2,1-2H3,(H,29,31)