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

Systemtic Name: 3-bromanyl-N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-4-methoxy-benzamide Formula: C19H18BrClN4O4S MolecularWeight: 513.79262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl)Br

InChI

InChI=1S/C19H18BrClN4O4S/c1-29-15-7-6-11(10-12(15)20)18(28)23-19(30)25-24-17(27)9-8-16(26)22-14-5-3-2-4-13(14)21/h2-7,10H,8-9H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28,30)