3-(2-chlorophenyl)-N-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chlorophenyl)-N-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chlorophenyl)-N-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioyl]-5-methyl-isoxazole-4-carboxamide CAS Name: 3-(2-chlorophenyl)-N-[[[(2,6-dimethylanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]-5-methyl-4-isoxazolecarboxamide IUPAC Name: 3-(2-chlorophenyl)-N-[[(2,6-dimethylphenyl)carbamothioylamino]carbamothioyl]-5-methyl-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chlorophenyl)-N-[[(2,6-dimethylphenyl)thiocarbamoylamino]thiocarbamoyl]-5-methyl-isoxazole-4-carboxamide Formula: C21H20ClN5O2S2 MolecularWeight: 473.9988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NNC(=S)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NNC(=S)NC(=O)C2=C(ON=C2C3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H20ClN5O2S2/c1-11-7-6-8-12(2)17(11)23-20(30)25-26-21(31)24-19(28)16-13(3)29-27-18(16)14-9-4-5-10-15(14)22/h4-10H,1-3H3,(H2,23,25,30)(H2,24,26,28,31)