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

Systemtic Name: N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-3-nitro-benzamide Formula: C25H24N4O4S MolecularWeight: 476.54746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H24N4O4S/c1-25(2,3)18-9-7-16(8-10-18)22(30)26-19-11-13-20(14-12-19)27-24(34)28-23(31)17-5-4-6-21(15-17)29(32)33/h4-15H,1-3H3,(H,26,30)(H2,27,28,31,34)