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

Systemtic Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[3-(2-methylthiazol-4-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-(2-methyl-4-thiazolyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[3-(2-methylthiazol-4-yl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C20H17N3O2S2 MolecularWeight: 395.49788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC1=NC(=CS1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C20H17N3O2S2/c1-12-21-17(11-27-12)13-3-2-4-15(9-13)22-20(25)14-5-6-18-16(10-14)23-19(24)7-8-26-18/h2-6,9-11H,7-8H2,1H3,(H,22,25)(H,23,24)