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

Systemtic Name: 4-chloranyl-N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[[[4-(4-ethoxyanilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[[[4-(4-ethoxyanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[[[4-keto-4-(p-phenetidino)butanoyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C20H20ClN5O6S MolecularWeight: 493.9207

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN5O6S/c1-2-32-14-6-4-13(5-7-14)22-17(27)9-10-18(28)24-25-20(33)23-19(29)12-3-8-15(21)16(11-12)26(30)31/h3-8,11H,2,9-10H2,1H3,(H,22,27)(H,24,28)(H2,23,25,29,33)