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

Systemtic Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=C(NN=C3C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=C(NN=C3C)C

InChI

InChI=1S/C23H26N4O2S/c1-4-13-29-20-11-7-18(8-12-20)22(28)25-23(30)24-19-9-5-17(6-10-19)14-21-15(2)26-27-16(21)3/h5-12H,4,13-14H2,1-3H3,(H,26,27)(H2,24,25,28,30)