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

Systemtic Name: N-[[[4-[(4-ethoxyphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[[4-(4-ethoxyanilino)-4-oxo-butanoyl]amino]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[4-(4-ethoxyanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[[4-(4-ethoxyanilino)-4-oxobutanoyl]amino]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[[4-keto-4-(p-phenetidino)butanoyl]amino]thiocarbamoyl]-3-nitro-benzamide Formula: C20H21N5O6S MolecularWeight: 459.47564

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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(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5O6S/c1-2-31-16-8-6-14(7-9-16)21-17(26)10-11-18(27)23-24-20(32)22-19(28)13-4-3-5-15(12-13)25(29)30/h3-9,12H,2,10-11H2,1H3,(H,21,26)(H,23,27)(H2,22,24,28,32)