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

Systemtic Name: N-[(4-tert-butyl-2-nitro-phenyl)carbamothioyl]benzamide Openeye Name: N-[(4-tert-butyl-2-nitro-phenyl)carbamothioyl]benzamide CAS Name: N-[(4-tert-butyl-2-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: N-[(4-tert-butyl-2-nitrophenyl)carbamothioyl]benzamide Traditional Name: N-[(4-tert-butyl-2-nitro-phenyl)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)NC(=S)NC(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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