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

Systemtic Name: 3-iodanyl-4-methoxy-N-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioyl]benzamide Openeye Name: N-[[(4-anilino-4-oxo-butanoyl)amino]carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[(4-anilino-1,4-dioxobutyl)hydrazo]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[(4-anilino-4-oxobutanoyl)amino]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: N-[[(4-anilino-4-keto-butanoyl)amino]thiocarbamoyl]-3-iodo-4-methoxy-benzamide Formula: C19H19IN4O4S MolecularWeight: 526.34803

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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=C2)I

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2)I

InChI

InChI=1S/C19H19IN4O4S/c1-28-15-8-7-12(11-14(15)20)18(27)22-19(29)24-23-17(26)10-9-16(25)21-13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,21,25)(H,23,26)(H2,22,24,27,29)