N-methyl-4-oxidanylidene-N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-methyl-4-oxidanylidene-N-[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-methyl-4-oxo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-(2-keto-2-mesidino-ethyl)-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CN(C)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CN(C)C(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

InChI

InChI=1S/C22H25N3O3S/c1-13-9-14(2)21(15(3)10-13)24-20(27)12-25(4)22(28)16-5-6-18-17(11-16)23-19(26)7-8-29-18/h5-6,9-11H,7-8,12H2,1-4H3,(H,23,26)(H,24,27)