N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-3,5-dinitro-benzamide

Systemtic Name: N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-3,5-dinitro-benzamide Openeye Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3,5-dinitro-benzamide CAS Name: N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3,5-dinitrobenzamide IUPAC Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3,5-dinitrobenzamide Traditional Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-3,5-dinitro-benzamide Formula: C25H23N5O6S MolecularWeight: 521.54502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N5O6S/c1-25(2,3)17-9-7-15(8-10-17)22(31)26-18-5-4-6-19(13-18)27-24(37)28-23(32)16-11-20(29(33)34)14-21(12-16)30(35)36/h4-14H,1-3H3,(H,26,31)(H2,27,28,32,37)