N-[2-[(3-azanyl-3-methyl-butanoyl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-methyl-2-phenyl-benzamide

Systemtic Name: N-[2-[(3-azanyl-3-methyl-butanoyl)amino]-4-oxidanylidene-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-methyl-2-phenyl-benzamide Openeye Name: N-[2-[(3-amino-3-methyl-butanoyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-methyl-2-phenyl-benzamide CAS Name: N-[2-[(3-amino-3-methyl-1-oxobutyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-methyl-2-phenylbenzamide IUPAC Name: N-[2-[(3-amino-3-methylbutanoyl)amino]-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-methyl-2-phenylbenzamide Traditional Name: N-[2-[(3-amino-3-methyl-butanoyl)amino]-4-keto-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-methyl-2-phenyl-benzamide Formula: C28H30N4O3S MolecularWeight: 502.6278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(=O)NC1CC(=O)N(C2=CC=CC=C2S1)N(C)C(=O)C3=CC=CC=C3C4=CC=CC=C4)N

Isomeric SMILES

CC(C)(CC(=O)NC1CC(=O)N(C2=CC=CC=C2S1)N(C)C(=O)C3=CC=CC=C3C4=CC=CC=C4)N

InChI

InChI=1S/C28H30N4O3S/c1-28(2,29)18-24(33)30-25-17-26(34)32(22-15-9-10-16-23(22)36-25)31(3)27(35)21-14-8-7-13-20(21)19-11-5-4-6-12-19/h4-16,25H,17-18,29H2,1-3H3,(H,30,33)