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

Systemtic Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[3-(2-methyl-4-pyrimidinyl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[3-(2-methylpyrimidin-4-yl)phenyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: 4-keto-N-[3-(2-methylpyrimidin-4-yl)phenyl]-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)NC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C21H18N4O2S/c1-13-22-9-7-17(23-13)14-3-2-4-16(11-14)24-21(27)15-5-6-19-18(12-15)25-20(26)8-10-28-19/h2-7,9,11-12H,8,10H2,1H3,(H,24,27)(H,25,26)