N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: 3-iodo-4-methyl-N-[[2-(sec-butylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: N-[[2-[(butan-2-ylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[2-(butan-2-ylcarbamoyl)phenyl]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: 3-iodo-4-methyl-N-[[2-(sec-butylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C20H22IN3O2S MolecularWeight: 495.37705

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)C)I

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)C)I

InChI

InChI=1S/C20H22IN3O2S/c1-4-13(3)22-19(26)15-7-5-6-8-17(15)23-20(27)24-18(25)14-10-9-12(2)16(21)11-14/h5-11,13H,4H2,1-3H3,(H,22,26)(H2,23,24,25,27)