N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]-3,5-dinitro-benzamide Formula: C18H16ClN5O6S MolecularWeight: 465.86754

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C18H16ClN5O6S/c19-15-9-12(1-2-16(15)22-3-5-30-6-4-22)20-18(31)21-17(25)11-7-13(23(26)27)10-14(8-11)24(28)29/h1-2,7-10H,3-6H2,(H2,20,21,25,31)