3-nitro-N-(propan-2-ylcarbamothioyl)benzamide

Systemtic Name: 3-nitro-N-(propan-2-ylcarbamothioyl)benzamide Openeye Name: N-(isopropylcarbamothioyl)-3-nitro-benzamide CAS Name: 3-nitro-N-[(propan-2-ylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-nitro-N-(propan-2-ylcarbamothioyl)benzamide Traditional Name: N-(isopropylthiocarbamoyl)-3-nitro-benzamide Formula: C11H13N3O3S MolecularWeight: 267.30422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3O3S/c1-7(2)12-11(18)13-10(15)8-4-3-5-9(6-8)14(16)17/h3-7H,1-2H3,(H2,12,13,15,18)