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

Systemtic Name: N-[4-[[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]carbonyl]phenyl]-2-phenyl-benzamide Openeye Name: N-[4-[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenyl-benzamide CAS Name: N-[4-[[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepin-5-yl]-oxomethyl]phenyl]-2-phenylbenzamide IUPAC Name: N-[4-[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenylbenzamide Traditional Name: N-[4-[2-(2-dimethylaminoethyl)-2H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenyl-benzamide Formula: C33H31N3O2S MolecularWeight: 533.68314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1C=CN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

Isomeric SMILES

CN(C)CCC1C=CN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5

InChI

InChI=1S/C33H31N3O2S/c1-35(2)22-20-27-21-23-36(30-14-8-9-15-31(30)39-27)33(38)25-16-18-26(19-17-25)34-32(37)29-13-7-6-12-28(29)24-10-4-3-5-11-24/h3-19,21,23,27H,20,22H2,1-2H3,(H,34,37)