N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]thiocarbamoyl]valeramide Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)CC2=C(NN=C2C)C

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=C(C=C1)CC2=C(NN=C2C)C

InChI

InChI=1S/C18H24N4OS/c1-4-5-6-17(23)20-18(24)19-15-9-7-14(8-10-15)11-16-12(2)21-22-13(16)3/h7-10H,4-6,11H2,1-3H3,(H,21,22)(H2,19,20,23,24)