N-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-iodanyl-4-methyl-benzamide

Systemtic Name: N-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[[4-(2,5-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[[4-(2,5-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[[4-(2,5-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C21H23IN4O3S MolecularWeight: 538.40179

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)C)I

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)C)I

InChI

InChI=1S/C21H23IN4O3S/c1-12-4-5-14(3)17(10-12)23-18(27)8-9-19(28)25-26-21(30)24-20(29)15-7-6-13(2)16(22)11-15/h4-7,10-11H,8-9H2,1-3H3,(H,23,27)(H,25,28)(H2,24,26,29,30)