N-(3-methoxypropylcarbamothioyl)-3-nitro-benzamide

Systemtic Name: N-(3-methoxypropylcarbamothioyl)-3-nitro-benzamide Openeye Name: N-(3-methoxypropylcarbamothioyl)-3-nitro-benzamide CAS Name: N-[(3-methoxypropylamino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-(3-methoxypropylcarbamothioyl)-3-nitrobenzamide Traditional Name: N-(3-methoxypropylthiocarbamoyl)-3-nitro-benzamide Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

COCCCNC(=S)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O4S/c1-19-7-3-6-13-12(20)14-11(16)9-4-2-5-10(8-9)15(17)18/h2,4-5,8H,3,6-7H2,1H3,(H2,13,14,16,20)