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

Systemtic Name: 3-chloranyl-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=C(NN=C3C)C)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=C(NN=C3C)C)Cl

InChI

InChI=1S/C22H23ClN4O2S/c1-4-29-20-10-7-16(12-19(20)23)21(28)25-22(30)24-17-8-5-15(6-9-17)11-18-13(2)26-27-14(18)3/h5-10,12H,4,11H2,1-3H3,(H,26,27)(H2,24,25,28,30)