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

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-N-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-4-keto-N-methyl-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H20BrN3O3S MolecularWeight: 462.3601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN3O3S/c1-12-9-14(21)4-5-15(12)22-19(26)11-24(2)20(27)13-3-6-17-16(10-13)23-18(25)7-8-28-17/h3-6,9-10H,7-8,11H2,1-2H3,(H,22,26)(H,23,25)