4-tert-butyl-N-[(2-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[(2-nitrophenyl)carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[(2-nitrophenyl)carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[(2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[(2-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[(2-nitrophenyl)thiocarbamoyl]benzamide Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-]

InChI

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