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

Systemtic Name: 3-bromanyl-N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[[4-(4-ethoxyanilino)-4-oxo-butanoyl]amino]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[[4-(4-ethoxyanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[[4-keto-4-(p-phenetidino)butanoyl]amino]thiocarbamoyl]-4-methyl-benzamide Formula: C21H23BrN4O4S MolecularWeight: 507.40072

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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)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O4S/c1-3-30-16-8-6-15(7-9-16)23-18(27)10-11-19(28)25-26-21(31)24-20(29)14-5-4-13(2)17(22)12-14/h4-9,12H,3,10-11H2,1-2H3,(H,23,27)(H,25,28)(H2,24,26,29,31)