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

Systemtic Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]thiocarbamoyl]hexanamide Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4OS/c1-4-5-6-7-18(24)21-19(25)20-16-10-8-15(9-11-16)12-17-13(2)22-23-14(17)3/h8-11H,4-7,12H2,1-3H3,(H,22,23)(H2,20,21,24,25)