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

Systemtic Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]butanamide Openeye Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]butanamide CAS Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]butanamide Traditional Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]thiocarbamoyl]butyramide Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4OS/c1-4-5-16(22)19-17(23)18-14-8-6-13(7-9-14)10-15-11(2)20-21-12(15)3/h6-9H,4-5,10H2,1-3H3,(H,20,21)(H2,18,19,22,23)