5-bromanyl-N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[[4-(4-ethoxyanilino)-4-oxo-butanoyl]amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[4-(4-ethoxyanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[[4-keto-4-(p-phenetidino)butanoyl]amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C28H29BrN4O5S MolecularWeight: 613.52266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H29BrN4O5S/c1-2-37-22-11-9-21(10-12-22)30-25(34)14-15-26(35)32-33-28(39)31-27(36)23-18-20(29)8-13-24(23)38-17-16-19-6-4-3-5-7-19/h3-13,18H,2,14-17H2,1H3,(H,30,34)(H,32,35)(H2,31,33,36,39)