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

Systemtic Name: 2-bromanyl-N-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioyl]benzamide Openeye Name: N-[[(4-anilino-4-oxo-butanoyl)amino]carbamothioyl]-2-bromo-benzamide CAS Name: N-[[(4-anilino-1,4-dioxobutyl)hydrazo]-sulfanylidenemethyl]-2-bromobenzamide IUPAC Name: N-[[(4-anilino-4-oxobutanoyl)amino]carbamothioyl]-2-bromobenzamide Traditional Name: N-[[(4-anilino-4-keto-butanoyl)amino]thiocarbamoyl]-2-bromo-benzamide Formula: C18H17BrN4O3S MolecularWeight: 449.32158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4O3S/c19-14-9-5-4-8-13(14)17(26)21-18(27)23-22-16(25)11-10-15(24)20-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,24)(H,22,25)(H2,21,23,26,27)