N-[(4-butan-2-ylphenyl)carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[(4-sec-butylphenyl)carbamothioyl]benzamide CAS Name: N-[(4-butan-2-ylanilino)-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[(4-butan-2-ylphenyl)carbamothioyl]-3-nitrobenzamide Traditional Name: 3-nitro-N-[(4-sec-butylphenyl)thiocarbamoyl]benzamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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