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

Systemtic Name: N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-2-iodanyl-benzamide Openeye Name: N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]-2-iodo-benzamide CAS Name: N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-2-iodobenzamide IUPAC Name: N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]-2-iodobenzamide Traditional Name: N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-2-iodo-benzamide Formula: C18H16ClIN4O3S MolecularWeight: 530.76711

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16ClIN4O3S/c19-12-6-2-4-8-14(12)21-15(25)9-10-16(26)23-24-18(28)22-17(27)11-5-1-3-7-13(11)20/h1-8H,9-10H2,(H,21,25)(H,23,26)(H2,22,24,27,28)