N-(but-3-enylcarbamothioyl)-4-methoxy-3-nitro-benzamide

Systemtic Name: N-(but-3-enylcarbamothioyl)-4-methoxy-3-nitro-benzamide Openeye Name: N-(but-3-enylcarbamothioyl)-4-methoxy-3-nitro-benzamide CAS Name: N-[(but-3-enylamino)-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-(but-3-enylcarbamothioyl)-4-methoxy-3-nitrobenzamide Traditional Name: N-(but-3-enylthiocarbamoyl)-4-methoxy-3-nitro-benzamide Formula: C13H15N3O4S MolecularWeight: 309.3409

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O4S/c1-3-4-7-14-13(21)15-12(17)9-5-6-11(20-2)10(8-9)16(18)19/h3,5-6,8H,1,4,7H2,2H3,(H2,14,15,17,21)