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

Systemtic Name: N-[4-[[2-(2-oxidanylideneethyl)-4H-1,5-benzothiazepin-5-yl]carbonyl]phenyl]-2-phenyl-benzamide Openeye Name: N-[4-[2-(2-oxoethyl)-4H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenyl-benzamide CAS Name: N-[4-[oxo-[2-(2-oxoethyl)-4H-1,5-benzothiazepin-5-yl]methyl]phenyl]-2-phenylbenzamide IUPAC Name: N-[4-[2-(2-oxoethyl)-4H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenylbenzamide Traditional Name: N-[4-[2-(2-ketoethyl)-4H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenyl-benzamide Formula: C31H24N2O3S MolecularWeight: 504.59886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H24N2O3S/c34-21-19-25-18-20-33(28-12-6-7-13-29(28)37-25)31(36)23-14-16-24(17-15-23)32-30(35)27-11-5-4-10-26(27)22-8-2-1-3-9-22/h1-18,21H,19-20H2,(H,32,35)