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

Systemtic Name: N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-iodanyl-4-methoxy-benzamide Openeye Name: N-[[[4-(4-ethoxyanilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-iodo-4-methoxy-benzamide CAS Name: N-[[[4-(4-ethoxyanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-iodo-4-methoxybenzamide IUPAC Name: N-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-iodo-4-methoxybenzamide Traditional Name: 3-iodo-N-[[[4-keto-4-(p-phenetidino)butanoyl]amino]thiocarbamoyl]-4-methoxy-benzamide Formula: C21H23IN4O5S MolecularWeight: 570.40059

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OC)I

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)OC)I

InChI

InChI=1S/C21H23IN4O5S/c1-3-31-15-7-5-14(6-8-15)23-18(27)10-11-19(28)25-26-21(32)24-20(29)13-4-9-17(30-2)16(22)12-13/h4-9,12H,3,10-11H2,1-2H3,(H,23,27)(H,25,28)(H2,24,26,29,32)