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

Systemtic Name: N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C19H18ClIN4O4S MolecularWeight: 560.79309

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl)I

InChI

InChI=1S/C19H18ClIN4O4S/c1-29-15-7-6-11(10-13(15)21)18(28)23-19(30)25-24-17(27)9-8-16(26)22-14-5-3-2-4-12(14)20/h2-7,10H,8-9H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28,30)