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

Systemtic Name: N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C20H20ClIN4O3S MolecularWeight: 558.82027

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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(=CC=C2)Cl)C)I

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClIN4O3S/c1-11-6-7-13(10-15(11)22)19(29)24-20(30)26-25-18(28)9-8-17(27)23-16-5-3-4-14(21)12(16)2/h3-7,10H,8-9H2,1-2H3,(H,23,27)(H,25,28)(H2,24,26,29,30)