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

Systemtic Name: N-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[4-(4-ethylphenyl)-5-methyl-thiazol-2-yl]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[[4-(4-ethylphenyl)-5-methyl-2-thiazolyl]amino]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[4-(4-ethylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[4-(4-ethylphenyl)-5-methyl-thiazol-2-yl]thiocarbamoyl]-2-iodo-benzamide Formula: C20H18IN3OS2 MolecularWeight: 507.41089

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=S)NC(=O)C3=CC=CC=C3I)C

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC(=N2)NC(=S)NC(=O)C3=CC=CC=C3I)C

InChI

InChI=1S/C20H18IN3OS2/c1-3-13-8-10-14(11-9-13)17-12(2)27-20(22-17)24-19(26)23-18(25)15-6-4-5-7-16(15)21/h4-11H,3H2,1-2H3,(H2,22,23,24,25,26)