N-[4-[[2-[2-[(2-azanyl-2-methyl-propanoyl)amino]ethyl]-4H-1,5-benzothiazepin-5-yl]carbonyl]phenyl]-2-phenyl-benzamide

Systemtic Name: N-[4-[[2-[2-[(2-azanyl-2-methyl-propanoyl)amino]ethyl]-4H-1,5-benzothiazepin-5-yl]carbonyl]phenyl]-2-phenyl-benzamide Openeye Name: N-[4-[2-[2-[(2-amino-2-methyl-propanoyl)amino]ethyl]-4H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenyl-benzamide CAS Name: N-[4-[[2-[2-[(2-amino-2-methyl-1-oxopropyl)amino]ethyl]-4H-1,5-benzothiazepin-5-yl]-oxomethyl]phenyl]-2-phenylbenzamide IUPAC Name: N-[4-[2-[2-[(2-amino-2-methylpropanoyl)amino]ethyl]-4H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenylbenzamide Traditional Name: N-[4-[2-[2-[(2-amino-2-methyl-propanoyl)amino]ethyl]-4H-1,5-benzothiazepine-5-carbonyl]phenyl]-2-phenyl-benzamide Formula: C35H34N4O3S MolecularWeight: 590.73446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NCCC1=CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5)N

Isomeric SMILES

CC(C)(C(=O)NCCC1=CCN(C2=CC=CC=C2S1)C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C5=CC=CC=C5)N

InChI

InChI=1S/C35H34N4O3S/c1-35(2,36)34(42)37-22-20-27-21-23-39(30-14-8-9-15-31(30)43-27)33(41)25-16-18-26(19-17-25)38-32(40)29-13-7-6-12-28(29)24-10-4-3-5-11-24/h3-19,21H,20,22-23,36H2,1-2H3,(H,37,42)(H,38,40)