N-[2-[[2-(2-hydroxyethyl)-4H-1,5-benzothiazepin-5-yl]carbonyl]pyridin-4-yl]-2-phenyl-benzamide

Systemtic Name: N-[2-[[2-(2-hydroxyethyl)-4H-1,5-benzothiazepin-5-yl]carbonyl]pyridin-4-yl]-2-phenyl-benzamide Openeye Name: N-[2-[2-(2-hydroxyethyl)-4H-1,5-benzothiazepine-5-carbonyl]-4-pyridyl]-2-phenyl-benzamide CAS Name: N-[2-[[2-(2-hydroxyethyl)-4H-1,5-benzothiazepin-5-yl]-oxomethyl]-4-pyridinyl]-2-phenylbenzamide IUPAC Name: N-[2-[2-(2-hydroxyethyl)-4H-1,5-benzothiazepine-5-carbonyl]pyridin-4-yl]-2-phenylbenzamide Traditional Name: N-[2-[2-(2-hydroxyethyl)-4H-1,5-benzothiazepine-5-carbonyl]-4-pyridyl]-2-phenyl-benzamide Formula: C30H25N3O3S MolecularWeight: 507.6028

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(SC2=CC=CC=C2N1C(=O)C3=NC=CC(=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5)CCO

Isomeric SMILES

C1C=C(SC2=CC=CC=C2N1C(=O)C3=NC=CC(=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5)CCO

InChI

InChI=1S/C30H25N3O3S/c34-19-16-23-15-18-33(27-12-6-7-13-28(27)37-23)30(36)26-20-22(14-17-31-26)32-29(35)25-11-5-4-10-24(25)21-8-2-1-3-9-21/h1-15,17,20,34H,16,18-19H2,(H,31,32,35)