N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[2-[(3,4-dimethylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[2-[(3,4-dimethylphenyl)carbamoyl]phenyl]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C24H22IN3O2S MolecularWeight: 543.41985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)C)I)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=C(C=C3)C)I)C

InChI

InChI=1S/C24H22IN3O2S/c1-14-9-11-18(12-16(14)3)26-23(30)19-6-4-5-7-21(19)27-24(31)28-22(29)17-10-8-15(2)20(25)13-17/h4-13H,1-3H3,(H,26,30)(H2,27,28,29,31)