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

Systemtic Name: 3-chloranyl-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[[4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-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=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)CC3=C(NN=C3C)C)Cl

Isomeric SMILES

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

InChI

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