N-[(2-butan-2-ylphenyl)carbamothioyl]-2-chloranyl-5-nitro-benzamide

Systemtic Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-2-chloranyl-5-nitro-benzamide Openeye Name: 2-chloro-5-nitro-N-[(2-sec-butylphenyl)carbamothioyl]benzamide CAS Name: N-[(2-butan-2-ylanilino)-sulfanylidenemethyl]-2-chloro-5-nitrobenzamide IUPAC Name: N-[(2-butan-2-ylphenyl)carbamothioyl]-2-chloro-5-nitrobenzamide Traditional Name: 2-chloro-5-nitro-N-[(2-sec-butylphenyl)thiocarbamoyl]benzamide Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN3O3S/c1-3-11(2)13-6-4-5-7-16(13)20-18(26)21-17(23)14-10-12(22(24)25)8-9-15(14)19/h4-11H,3H2,1-2H3,(H2,20,21,23,26)