N-[(3-methoxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(3-methoxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(3-methoxyphenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(3-methoxyanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(3-methoxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(3-methoxyphenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O5S/c1-27-15-4-2-3-14(12-15)20-19(29)21-18(24)13-5-6-16(17(11-13)23(25)26)22-7-9-28-10-8-22/h2-6,11-12H,7-10H2,1H3,(H2,20,21,24,29)