N-[[[4-[(2,4-dichlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-methyl-benzamide

Systemtic Name: N-[[[4-[(2,4-dichlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[[4-(2,4-dichloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-methyl-benzamide CAS Name: N-[[[4-(2,4-dichloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-methylbenzamide Traditional Name: N-[[[4-(2,4-dichloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-methyl-benzamide Formula: C19H18Cl2N4O3S MolecularWeight: 453.34222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H18Cl2N4O3S/c1-11-3-2-4-12(9-11)18(28)23-19(29)25-24-17(27)8-7-16(26)22-15-6-5-13(20)10-14(15)21/h2-6,9-10H,7-8H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28,29)