N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C26H26N4O4S MolecularWeight: 490.57404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C26H26N4O4S/c1-16-21(6-5-7-22(16)30(33)34)24(32)29-25(35)28-20-14-12-19(13-15-20)27-23(31)17-8-10-18(11-9-17)26(2,3)4/h5-15H,1-4H3,(H,27,31)(H2,28,29,32,35)