N-[(5-methyl-2-pyridin-2-yl-pyrazol-3-yl)carbamothioyl]-4-(thiophen-2-ylsulfonylamino)benzamide

Systemtic Name: N-[(5-methyl-2-pyridin-2-yl-pyrazol-3-yl)carbamothioyl]-4-(thiophen-2-ylsulfonylamino)benzamide Openeye Name: N-[[5-methyl-2-(2-pyridyl)pyrazol-3-yl]carbamothioyl]-4-(2-thienylsulfonylamino)benzamide CAS Name: N-[[[5-methyl-2-(2-pyridinyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]-4-(thiophen-2-ylsulfonylamino)benzamide IUPAC Name: N-[(5-methyl-2-pyridin-2-ylpyrazol-3-yl)carbamothioyl]-4-(thiophen-2-ylsulfonylamino)benzamide Traditional Name: N-[[5-methyl-2-(2-pyridyl)pyrazol-3-yl]thiocarbamoyl]-4-(2-thienylsulfonylamino)benzamide Formula: C21H18N6O3S3 MolecularWeight: 498.60102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)C4=CC=CC=N4

Isomeric SMILES

CC1=NN(C(=C1)NC(=S)NC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3)C4=CC=CC=N4

InChI

InChI=1S/C21H18N6O3S3/c1-14-13-18(27(25-14)17-5-2-3-11-22-17)23-21(31)24-20(28)15-7-9-16(10-8-15)26-33(29,30)19-6-4-12-32-19/h2-13,26H,1H3,(H2,23,24,28,31)