N-[(2-methoxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[(2-methoxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[(2-methoxyphenyl)carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[(2-methoxyanilino)-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[(2-methoxyphenyl)carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[(2-methoxyphenyl)thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=S)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

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