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

Systemtic Name: 2-iodanyl-N-[[5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]carbamothioyl]benzamide Openeye Name: 2-iodo-N-[[4-(4-isobutylphenyl)-5-methyl-thiazol-2-yl]carbamothioyl]benzamide CAS Name: 2-iodo-N-[[[5-methyl-4-[4-(2-methylpropyl)phenyl]-2-thiazolyl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-iodo-N-[[5-methyl-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-yl]carbamothioyl]benzamide Traditional Name: 2-iodo-N-[[4-(4-isobutylphenyl)-5-methyl-thiazol-2-yl]thiocarbamoyl]benzamide Formula: C22H22IN3OS2 MolecularWeight: 535.46405

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(S1)NC(=S)NC(=O)C2=CC=CC=C2I)C3=CC=C(C=C3)CC(C)C

Isomeric SMILES

CC1=C(N=C(S1)NC(=S)NC(=O)C2=CC=CC=C2I)C3=CC=C(C=C3)CC(C)C

InChI

InChI=1S/C22H22IN3OS2/c1-13(2)12-15-8-10-16(11-9-15)19-14(3)29-22(24-19)26-21(28)25-20(27)17-6-4-5-7-18(17)23/h4-11,13H,12H2,1-3H3,(H2,24,25,26,27,28)