N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[4-(3,4-dimethylphenyl)-2-thiazolyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4)C

InChI

InChI=1S/C21H19N3O2S2/c1-12-3-4-14(9-13(12)2)17-11-28-21(23-17)24-20(26)15-5-6-18-16(10-15)22-19(25)7-8-27-18/h3-6,9-11H,7-8H2,1-2H3,(H,22,25)(H,23,24,26)