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

Systemtic Name: N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C27H28N4O5S MolecularWeight: 520.60002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O5S/c1-5-36-23-14-11-18(15-22(23)31(34)35)25(33)30-26(37)29-21-8-6-7-20(16-21)28-24(32)17-9-12-19(13-10-17)27(2,3)4/h6-16H,5H2,1-4H3,(H,28,32)(H2,29,30,33,37)