N-[[[4-[(2,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[[4-[(2,4-dimethylphenyl)amino]-4-oxidanylidene-butanoyl]amino]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[[4-(2,4-dimethylanilino)-4-oxo-butanoyl]amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[[4-(2,4-dimethylanilino)-1,4-dioxobutyl]hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[[4-(2,4-dimethylanilino)-4-oxobutanoyl]amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[[4-(2,4-dimethylanilino)-4-keto-butanoyl]amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C20H20N6O7S MolecularWeight: 488.4738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CCC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C20H20N6O7S/c1-11-3-4-16(12(2)7-11)21-17(27)5-6-18(28)23-24-20(34)22-19(29)13-8-14(25(30)31)10-15(9-13)26(32)33/h3-4,7-10H,5-6H2,1-2H3,(H,21,27)(H,23,28)(H2,22,24,29,34)