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

Systemtic Name: 2-bromanyl-N-[[[4-[(2,4-dichlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[[4-(2,4-dichloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[4-(2,4-dichloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[[4-(2,4-dichloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]benzamide Formula: C18H15BrCl2N4O3S MolecularWeight: 518.2117

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)Br

InChI

InChI=1S/C18H15BrCl2N4O3S/c19-12-4-2-1-3-11(12)17(28)23-18(29)25-24-16(27)8-7-15(26)22-14-6-5-10(20)9-13(14)21/h1-6,9H,7-8H2,(H,22,26)(H,24,27)(H2,23,25,28,29)