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

Systemtic Name: 2-bromanyl-N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[[4-(4-ethoxyanilino)-4-oxo-butanoyl]amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[4-(4-ethoxyanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[[4-keto-4-(p-phenetidino)butanoyl]amino]thiocarbamoyl]benzamide Formula: C20H21BrN4O4S MolecularWeight: 493.37414

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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=CC=C2Br

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H21BrN4O4S/c1-2-29-14-9-7-13(8-10-14)22-17(26)11-12-18(27)24-25-20(30)23-19(28)15-5-3-4-6-16(15)21/h3-10H,2,11-12H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28,30)