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

Systemtic Name: 4-bromanyl-N-[[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[4-(4-isopropylphenyl)-5-methyl-thiazol-2-yl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[[5-methyl-4-(4-propan-2-ylphenyl)-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[5-methyl-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[(5-methyl-4-p-cumenyl-thiazol-2-yl)thiocarbamoyl]benzamide Formula: C21H20BrN3OS2 MolecularWeight: 474.437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(N=C(S1)NC(=S)NC(=O)C2=CC=C(C=C2)Br)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H20BrN3OS2/c1-12(2)14-4-6-15(7-5-14)18-13(3)28-21(23-18)25-20(27)24-19(26)16-8-10-17(22)11-9-16/h4-12H,1-3H3,(H2,23,24,25,26,27)