4-methyl-2-(phenylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide

Systemtic Name: 4-methyl-2-(phenylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide Openeye Name: 4-methyl-2-(phenylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)thiazole-5-carboxamide CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-4-methyl-N-(2,4,6-trimethylphenyl)-5-thiazolecarboxamide IUPAC Name: 4-methyl-2-(phenylcarbamothioylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide Traditional Name: N-mesityl-4-methyl-2-(phenylthiocarbamoylamino)thiazole-5-carboxamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)C2=C(N=C(S2)NC(=S)NC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)C2=C(N=C(S2)NC(=S)NC3=CC=CC=C3)C)C

InChI

InChI=1S/C21H22N4OS2/c1-12-10-13(2)17(14(3)11-12)24-19(26)18-15(4)22-21(28-18)25-20(27)23-16-8-6-5-7-9-16/h5-11H,1-4H3,(H,24,26)(H2,22,23,25,27)