2-morpholin-4-yl-5-nitro-N-[(phenylmethyl)carbamothioyl]benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[(phenylmethyl)carbamothioyl]benzamide Openeye Name: N-(benzylcarbamothioyl)-2-morpholino-5-nitro-benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[(phenylmethyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-(benzylcarbamothioyl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-(benzylthiocarbamoyl)-2-morpholino-5-nitro-benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C19H20N4O4S/c24-18(21-19(28)20-13-14-4-2-1-3-5-14)16-12-15(23(25)26)6-7-17(16)22-8-10-27-11-9-22/h1-7,12H,8-11,13H2,(H2,20,21,24,28)