2-bromanyl-N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide

Systemtic Name: 2-bromanyl-N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]thiocarbamoyl]benzamide Formula: C19H18BrClN4O3S MolecularWeight: 497.79322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C19H18BrClN4O3S/c1-11-14(21)7-4-8-15(11)22-16(26)9-10-17(27)24-25-19(29)23-18(28)12-5-2-3-6-13(12)20/h2-8H,9-10H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28,29)