2-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[(3-chloranyl-4-methyl-phenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[(3-chloro-4-methyl-phenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[[(3-chloro-4-methylanilino)-sulfanylidenemethyl]amino]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[(3-chloro-4-methylphenyl)carbamothioylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[(3-chloro-4-methyl-phenyl)thiocarbamoylamino]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C16H20ClN5OS MolecularWeight: 365.8809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC(=O)NC2=C(N(N=C2C)C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC(=O)NC2=C(N(N=C2C)C)C)Cl

InChI

InChI=1S/C16H20ClN5OS/c1-9-5-6-12(7-13(9)17)19-16(24)18-8-14(23)20-15-10(2)21-22(4)11(15)3/h5-7H,8H2,1-4H3,(H,20,23)(H2,18,19,24)