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

Systemtic Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-7-oxidanylidene-2-(thiophen-3-ylcarbonylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Openeye Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-2-(thiophene-3-carbonylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide CAS Name: N-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-7-oxo-2-[[oxo(3-thiophenyl)methyl]amino]-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-7-oxo-2-(thiophene-3-carbonylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Traditional Name: N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-7-keto-2-(3-thenoylamino)-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide Formula: C20H21N5O3S2 MolecularWeight: 443.54244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCNC(=O)C2CC3=C(C(=O)C2)SC(=N3)NC(=O)C4=CSC=C4)C

Isomeric SMILES

CC1=CC(=NN1CCNC(=O)C2CC3=C(C(=O)C2)SC(=N3)NC(=O)C4=CSC=C4)C

InChI

InChI=1S/C20H21N5O3S2/c1-11-7-12(2)25(24-11)5-4-21-18(27)14-8-15-17(16(26)9-14)30-20(22-15)23-19(28)13-3-6-29-10-13/h3,6-7,10,14H,4-5,8-9H2,1-2H3,(H,21,27)(H,22,23,28)