N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide

Systemtic Name: N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N4O4S/c1-19(2,3)22-17(25)12-7-9-14(10-8-12)20-18(28)21-16(24)13-5-4-6-15(11-13)23(26)27/h4-11H,1-3H3,(H,22,25)(H2,20,21,24,28)