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

Systemtic Name: 2-bromanyl-N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]benzamide Formula: C18H16BrClN4O3S MolecularWeight: 483.76664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrClN4O3S/c19-12-6-2-1-5-11(12)17(27)22-18(28)24-23-16(26)10-9-15(25)21-14-8-4-3-7-13(14)20/h1-8H,9-10H2,(H,21,25)(H,23,26)(H2,22,24,27,28)