3,5-dinitro-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3,5-dinitro-N-[[2-(3-oxidanylpropylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[2-[(3-hydroxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[2-(3-hydroxypropylcarbamoyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[2-(3-hydroxypropylcarbamoyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H17N5O7S MolecularWeight: 447.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O7S/c24-7-3-6-19-17(26)14-4-1-2-5-15(14)20-18(31)21-16(25)11-8-12(22(27)28)10-13(9-11)23(29)30/h1-2,4-5,8-10,24H,3,6-7H2,(H,19,26)(H2,20,21,25,31)