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

Systemtic Name: N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-iodanyl-4-methyl-benzamide Openeye Name: N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-iodo-4-methyl-benzamide CAS Name: N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methylbenzamide IUPAC Name: N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-iodo-4-methylbenzamide Traditional Name: N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-iodo-4-methyl-benzamide Formula: C19H18ClIN4O3S MolecularWeight: 544.79369

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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=CC=CC=C2Cl)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl)I

InChI

InChI=1S/C19H18ClIN4O3S/c1-11-6-7-12(10-14(11)21)18(28)23-19(29)25-24-17(27)9-8-16(26)22-15-5-3-2-4-13(15)20/h2-7,10H,8-9H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28,29)