3-nitro-N-(1-oxidanylbutan-2-ylcarbamothioyl)benzamide

Systemtic Name: 3-nitro-N-(1-oxidanylbutan-2-ylcarbamothioyl)benzamide Openeye Name: N-[1-(hydroxymethyl)propylcarbamothioyl]-3-nitro-benzamide CAS Name: N-[(1-hydroxybutan-2-ylamino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-(1-hydroxybutan-2-ylcarbamothioyl)-3-nitrobenzamide Traditional Name: N-(1-methylolpropylthiocarbamoyl)-3-nitro-benzamide Formula: C12H15N3O4S MolecularWeight: 297.3302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S/c1-2-9(7-16)13-12(20)14-11(17)8-4-3-5-10(6-8)15(18)19/h3-6,9,16H,2,7H2,1H3,(H2,13,14,17,20)