N'-(4,6-dimethylpyrimidin-2-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide

Systemtic Name: N'-(4,6-dimethylpyrimidin-2-yl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Openeye Name: N'-(4,6-dimethylpyrimidin-2-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide CAS Name: N'-(4,6-dimethyl-2-pyrimidinyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide IUPAC Name: N'-(4,6-dimethylpyrimidin-2-yl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Traditional Name: N'-(4,6-dimethylpyrimidin-2-yl)-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbohydrazide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NNC(=O)C2=CC3=C(C=C2)SCCC(=O)N3)C

InChI

InChI=1S/C16H17N5O2S/c1-9-7-10(2)18-16(17-9)21-20-15(23)11-3-4-13-12(8-11)19-14(22)5-6-24-13/h3-4,7-8H,5-6H2,1-2H3,(H,19,22)(H,20,23)(H,17,18,21)