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

Systemtic Name: N-[[[4-[(2,4-dichlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[[4-(2,4-dichloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[[4-(2,4-dichloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[[4-(2,4-dichloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C19H17Cl2IN4O3S MolecularWeight: 579.23875

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)I

InChI

InChI=1S/C19H17Cl2IN4O3S/c1-10-2-3-11(8-14(10)22)18(29)24-19(30)26-25-17(28)7-6-16(27)23-15-5-4-12(20)9-13(15)21/h2-5,8-9H,6-7H2,1H3,(H,23,27)(H,25,28)(H2,24,26,29,30)