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

Systemtic Name: N-[4-[(2-acetamido-2H-1,5-benzothiazepin-5-yl)carbonyl]phenyl]-2-phenyl-benzamide Openeye Name: N-[4-(2-acetamido-2H-1,5-benzothiazepine-5-carbonyl)phenyl]-2-phenyl-benzamide CAS Name: N-[4-[(2-acetamido-2H-1,5-benzothiazepin-5-yl)-oxomethyl]phenyl]-2-phenylbenzamide IUPAC Name: N-[4-(2-acetamido-2H-1,5-benzothiazepine-5-carbonyl)phenyl]-2-phenylbenzamide Traditional Name: N-[4-(2-acetamido-2H-1,5-benzothiazepine-5-carbonyl)phenyl]-2-phenyl-benzamide Formula: C31H25N3O3S MolecularWeight: 519.6135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C=CN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

CC(=O)NC1C=CN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C31H25N3O3S/c1-21(35)32-29-19-20-34(27-13-7-8-14-28(27)38-29)31(37)23-15-17-24(18-16-23)33-30(36)26-12-6-5-11-25(26)22-9-3-2-4-10-22/h2-20,29H,1H3,(H,32,35)(H,33,36)