N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[4-(4-morpholin-4-iumylmethyl)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[4-(morpholin-4-ium-4-ylmethyl)phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C19H20N5O6S+ MolecularWeight: 446.457

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O6S/c25-18(14-9-16(23(26)27)11-17(10-14)24(28)29)21-19(31)20-15-3-1-13(2-4-15)12-22-5-7-30-8-6-22/h1-4,9-11H,5-8,12H2,(H2,20,21,25,31)/p+1