4-methoxy-N-morpholin-4-ylcarbothioyl-3-nitro-benzamide

Systemtic Name: 4-methoxy-N-morpholin-4-ylcarbothioyl-3-nitro-benzamide Openeye Name: 4-methoxy-N-(morpholine-4-carbothioyl)-3-nitro-benzamide CAS Name: 4-methoxy-N-[4-morpholinyl(sulfanylidene)methyl]-3-nitrobenzamide IUPAC Name: 4-methoxy-N-(morpholine-4-carbothioyl)-3-nitrobenzamide Traditional Name: 4-methoxy-N-(morpholine-4-carbothioyl)-3-nitro-benzamide Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O5S/c1-20-11-3-2-9(8-10(11)16(18)19)12(17)14-13(22)15-4-6-21-7-5-15/h2-3,8H,4-7H2,1H3,(H,14,17,22)