N-[[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[[2-[(3,5-dimethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]thiocarbamoyl]-1-methyl-pyrazole-3-carboxamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=NN(C=C3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=NN(C=C3)C)C

InChI

InChI=1S/C21H21N5O2S/c1-13-10-14(2)12-15(11-13)22-19(27)16-6-4-5-7-17(16)23-21(29)24-20(28)18-8-9-26(3)25-18/h4-12H,1-3H3,(H,22,27)(H2,23,24,28,29)