1-methyl-N-[[2-[(4-methylphenyl)carbamoyl]phenyl]carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 1-methyl-N-[[2-[(4-methylphenyl)carbamoyl]phenyl]carbamothioyl]pyrazole-3-carboxamide Openeye Name: 1-methyl-N-[[2-(p-tolylcarbamoyl)phenyl]carbamothioyl]pyrazole-3-carboxamide CAS Name: 1-methyl-N-[[2-[(4-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 1-methyl-N-[[2-[(4-methylphenyl)carbamoyl]phenyl]carbamothioyl]pyrazole-3-carboxamide Traditional Name: 1-methyl-N-[[2-(p-tolylcarbamoyl)phenyl]thiocarbamoyl]pyrazole-3-carboxamide Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O2S/c1-13-7-9-14(10-8-13)21-18(26)15-5-3-4-6-16(15)22-20(28)23-19(27)17-11-12-25(2)24-17/h3-12H,1-2H3,(H,21,26)(H2,22,23,27,28)