4-bromanyl-N-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[4-(2,5-dimethylphenyl)-5-methyl-thiazol-2-yl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[[4-(2,5-dimethylphenyl)-5-methyl-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[4-(2,5-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[4-(2,5-dimethylphenyl)-5-methyl-thiazol-2-yl]thiocarbamoyl]benzamide Formula: C20H18BrN3OS2 MolecularWeight: 460.41042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=C(SC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=C(SC(=N2)NC(=S)NC(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C20H18BrN3OS2/c1-11-4-5-12(2)16(10-11)17-13(3)27-20(22-17)24-19(26)23-18(25)14-6-8-15(21)9-7-14/h4-10H,1-3H3,(H2,22,23,24,25,26)