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

Systemtic Name: N-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(2,5-dimethylanilino)-2-oxo-ethyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(2,5-dimethylanilino)-2-keto-ethyl]-4-keto-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-13-4-5-14(2)16(10-13)22-20(26)12-24(3)21(27)15-6-7-18-17(11-15)23-19(25)8-9-28-18/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,26)(H,23,25)