N-[(2-butan-2-ylphenyl)carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-2-nitro-benzamide Openeye Name: 2-nitro-N-[(2-sec-butylphenyl)carbamothioyl]benzamide CAS Name: N-[(2-butan-2-ylanilino)-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-2-nitrobenzamide Traditional Name: 2-nitro-N-[(2-sec-butylphenyl)thiocarbamoyl]benzamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O3S/c1-3-12(2)13-8-4-6-10-15(13)19-18(25)20-17(22)14-9-5-7-11-16(14)21(23)24/h4-12H,3H2,1-2H3,(H2,19,20,22,25)