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

Systemtic Name: N-[[2-[(4-chlorophenyl)carbamoyl]phenyl]carbamothioyl]-1-methyl-pyrazole-3-carboxamide Openeye Name: N-[[2-[(4-chlorophenyl)carbamoyl]phenyl]carbamothioyl]-1-methyl-pyrazole-3-carboxamide CAS Name: N-[[2-[(4-chloroanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-1-methyl-3-pyrazolecarboxamide IUPAC Name: N-[[2-[(4-chlorophenyl)carbamoyl]phenyl]carbamothioyl]-1-methylpyrazole-3-carboxamide Traditional Name: N-[[2-[(4-chlorophenyl)carbamoyl]phenyl]thiocarbamoyl]-1-methyl-pyrazole-3-carboxamide Formula: C19H16ClN5O2S MolecularWeight: 413.88064

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C=CC(=N1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN5O2S/c1-25-11-10-16(24-25)18(27)23-19(28)22-15-5-3-2-4-14(15)17(26)21-13-8-6-12(20)7-9-13/h2-11H,1H3,(H,21,26)(H2,22,23,27,28)