4-acetamido-N-(5-cyclopentyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)benzamide

Systemtic Name: 4-acetamido-N-(5-cyclopentyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-3-yl)benzamide Openeye Name: 4-acetamido-N-(5-cyclopentyl-6-oxo-benzo[b][1,4]benzothiazepin-3-yl)benzamide CAS Name: 4-acetamido-N-(5-cyclopentyl-6-oxo-3-benzo[b][1,4]benzothiazepinyl)benzamide IUPAC Name: 4-acetamido-N-(5-cyclopentyl-6-oxobenzo[b][1,4]benzothiazepin-3-yl)benzamide Traditional Name: 4-acetamido-N-(5-cyclopentyl-6-keto-benzo[b][1,4]benzothiazepin-3-yl)benzamide Formula: C27H25N3O3S MolecularWeight: 471.5707

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C5CCCC5

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NC2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3C5CCCC5

InChI

InChI=1S/C27H25N3O3S/c1-17(31)28-19-12-10-18(11-13-19)26(32)29-20-14-15-25-23(16-20)30(21-6-2-3-7-21)27(33)22-8-4-5-9-24(22)34-25/h4-5,8-16,21H,2-3,6-7H2,1H3,(H,28,31)(H,29,32)