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

Systemtic Name: N-[4-[[2-(2-cyanoethyl)-2H-1,5-benzothiazepin-5-yl]carbonyl]phenyl]-2-phenyl-benzamide Openeye Name: N-[4-[2-(2-cyanoethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenyl-benzamide CAS Name: N-[4-[[2-(2-cyanoethyl)-2H-1,5-benzothiazepin-5-yl]-oxomethyl]phenyl]-2-phenylbenzamide IUPAC Name: N-[4-[2-(2-cyanoethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenylbenzamide Traditional Name: N-[4-[2-(2-cyanoethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenyl-benzamide Formula: C32H25N3O2S MolecularWeight: 515.6248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4C=CC(SC5=CC=CC=C54)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=CC=C(C=C3)C(=O)N4C=CC(SC5=CC=CC=C54)CCC#N

InChI

InChI=1S/C32H25N3O2S/c33-21-8-11-26-20-22-35(29-14-6-7-15-30(29)38-26)32(37)24-16-18-25(19-17-24)34-31(36)28-13-5-4-12-27(28)23-9-2-1-3-10-23/h1-7,9-10,12-20,22,26H,8,11H2,(H,34,36)