5-chloranyl-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-chloranyl-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C21H21ClN4O2S MolecularWeight: 428.93504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)OC

Isomeric SMILES

CC1=C(C(=NN1)C)CC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)Cl)OC

InChI

InChI=1S/C21H21ClN4O2S/c1-12-17(13(2)26-25-12)10-14-4-7-16(8-5-14)23-21(29)24-20(27)18-11-15(22)6-9-19(18)28-3/h4-9,11H,10H2,1-3H3,(H,25,26)(H2,23,24,27,29)