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

Systemtic Name: N-[[[4-[(2,4-dichlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[[4-(2,4-dichloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[[4-(2,4-dichloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[[4-(2,4-dichloroanilino)-4-oxobutanoyl]amino]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[[4-(2,4-dichloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-2-nitro-benzamide Formula: C18H15Cl2N5O5S MolecularWeight: 484.3132

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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)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H15Cl2N5O5S/c19-10-5-6-13(12(20)9-10)21-15(26)7-8-16(27)23-24-18(31)22-17(28)11-3-1-2-4-14(11)25(29)30/h1-6,9H,7-8H2,(H,21,26)(H,23,27)(H2,22,24,28,31)