2-morpholin-4-yl-5-nitro-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamothioyl]benzamide Traditional Name: N-[(2-keto-1,3-dihydrobenzimidazol-5-yl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C19H18N6O5S MolecularWeight: 442.44842

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C19H18N6O5S/c26-17(23-19(31)20-11-1-3-14-15(9-11)22-18(27)21-14)13-10-12(25(28)29)2-4-16(13)24-5-7-30-8-6-24/h1-4,9-10H,5-8H2,(H2,21,22,27)(H2,20,23,26,31)