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

Systemtic Name: 4-chloranyl-N-[[[4-[(3-chloranyl-2-methyl-phenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[[4-(3-chloro-2-methyl-anilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[4-(3-chloro-2-methylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[[4-(3-chloro-2-methylanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[[4-(3-chloro-2-methyl-anilino)-4-keto-butanoyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C19H17Cl2N5O5S MolecularWeight: 498.33978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H17Cl2N5O5S/c1-10-12(20)3-2-4-14(10)22-16(27)7-8-17(28)24-25-19(32)23-18(29)11-5-6-13(21)15(9-11)26(30)31/h2-6,9H,7-8H2,1H3,(H,22,27)(H,24,28)(H2,23,25,29,32)