N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C29H31N5O5S MolecularWeight: 561.65194

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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=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C29H31N5O5S/c1-29(2,3)20-6-4-19(5-7-20)26(35)30-21-8-10-22(11-9-21)31-28(40)32-27(36)24-18-23(34(37)38)12-13-25(24)33-14-16-39-17-15-33/h4-13,18H,14-17H2,1-3H3,(H,30,35)(H2,31,32,36,40)