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

Systemtic Name: 3-bromanyl-N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]thiocarbamoyl]-4-methoxy-benzamide Formula: C20H20BrClN4O4S MolecularWeight: 527.8192

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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(=C(C=C2)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrClN4O4S/c1-11-14(22)4-3-5-15(11)23-17(27)8-9-18(28)25-26-20(31)24-19(29)12-6-7-16(30-2)13(21)10-12/h3-7,10H,8-9H2,1-2H3,(H,23,27)(H,25,28)(H2,24,26,29,31)