2-benzamido-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide

Systemtic Name: 2-benzamido-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-oxidanylidene-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Openeye Name: 2-benzamido-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide CAS Name: 2-benzamido-N-[(1,5-dimethyl-4-pyrazolyl)methyl]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide IUPAC Name: 2-benzamido-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Traditional Name: 2-benzamido-N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-keto-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CNC(=O)C2CC3=C(C(=O)C2)SC(=N3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C)CNC(=O)C2CC3=C(C(=O)C2)SC(=N3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O3S/c1-12-15(11-23-26(12)2)10-22-19(28)14-8-16-18(17(27)9-14)30-21(24-16)25-20(29)13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,22,28)(H,24,25,29)