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

Systemtic Name: 3,5-dinitro-N-[[(4-oxidanylidene-4-phenylazanyl-butanoyl)amino]carbamothioyl]benzamide Openeye Name: N-[[(4-anilino-4-oxo-butanoyl)amino]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[(4-anilino-1,4-dioxobutyl)hydrazo]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[(4-anilino-4-oxobutanoyl)amino]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[(4-anilino-4-keto-butanoyl)amino]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H16N6O7S MolecularWeight: 460.42064

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N6O7S/c25-15(19-12-4-2-1-3-5-12)6-7-16(26)21-22-18(32)20-17(27)11-8-13(23(28)29)10-14(9-11)24(30)31/h1-5,8-10H,6-7H2,(H,19,25)(H,21,26)(H2,20,22,27,32)