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

Systemtic Name: N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C26H26N4O5S MolecularWeight: 506.57344

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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(=C(C=C3)OC)[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(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O5S/c1-26(2,3)18-11-8-16(9-12-18)23(31)27-19-6-5-7-20(15-19)28-25(36)29-24(32)17-10-13-22(35-4)21(14-17)30(33)34/h5-15H,1-4H3,(H,27,31)(H2,28,29,32,36)