2-bromanyl-N-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[[4-[(2,5-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[[4-(2,5-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[4-(2,5-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[[4-(2,5-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[[4-(2,5-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]benzamide Formula: C20H21BrN4O3S MolecularWeight: 477.37474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H21BrN4O3S/c1-12-7-8-13(2)16(11-12)22-17(26)9-10-18(27)24-25-20(29)23-19(28)14-5-3-4-6-15(14)21/h3-8,11H,9-10H2,1-2H3,(H,22,26)(H,24,27)(H2,23,25,28,29)