N-[4-[[2-(2-hydroxyethyl)-4-oxidanylidene-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-phenyl-benzamide

Systemtic Name: N-[4-[[2-(2-hydroxyethyl)-4-oxidanylidene-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-phenyl-benzamide Openeye Name: N-[4-[[2-(2-hydroxyethyl)-4-oxo-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-phenyl-benzamide CAS Name: N-[4-[[2-(2-hydroxyethyl)-4-oxo-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-phenylbenzamide IUPAC Name: N-[4-[[2-(2-hydroxyethyl)-4-oxo-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-phenylbenzamide Traditional Name: N-[4-[[2-(2-hydroxyethyl)-4-keto-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-phenyl-benzamide Formula: C31H26N2O3S MolecularWeight: 506.61474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)CN4C5=CC=CC=C5SC(=CC4=O)CCO

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)CN4C5=CC=CC=C5SC(=CC4=O)CCO

InChI

InChI=1S/C31H26N2O3S/c34-19-18-25-20-30(35)33(28-12-6-7-13-29(28)37-25)21-22-14-16-24(17-15-22)32-31(36)27-11-5-4-10-26(27)23-8-2-1-3-9-23/h1-17,20,34H,18-19,21H2,(H,32,36)