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

Systemtic Name: 4-chloranyl-N-[[[4-[(2-chlorophenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[[4-(2-chloroanilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[4-(2-chloroanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[[4-(2-chloroanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[[4-(2-chloroanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C18H15Cl2N5O5S MolecularWeight: 484.3132

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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(=C(C=C2)Cl)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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