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

Systemtic Name: 3-chloranyl-N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]benzamide Openeye Name: 3-chloro-N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]benzamide CAS Name: 3-chloro-N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]benzamide Traditional Name: 3-chloro-N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]benzamide Formula: C18H16Cl2N4O3S MolecularWeight: 439.31564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N4O3S/c19-12-5-3-4-11(10-12)17(27)22-18(28)24-23-16(26)9-8-15(25)21-14-7-2-1-6-13(14)20/h1-7,10H,8-9H2,(H,21,25)(H,23,26)(H2,22,24,27,28)