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

Systemtic Name: 2-chloranyl-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 2-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 2-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 2-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 2-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C21H21ClN4OS MolecularWeight: 412.93564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=C(NN=C3C)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=C(NN=C3C)C)Cl

InChI

InChI=1S/C21H21ClN4OS/c1-12-4-9-17(19(22)10-12)20(27)24-21(28)23-16-7-5-15(6-8-16)11-18-13(2)25-26-14(18)3/h4-10H,11H2,1-3H3,(H,25,26)(H2,23,24,27,28)