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

Systemtic Name: N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C28H31N3O5S MolecularWeight: 521.62784

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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)OC)OC

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)OC)OC

InChI

InChI=1S/C28H31N3O5S/c1-28(2,3)19-12-10-17(11-13-19)25(32)29-20-8-7-9-21(16-20)30-27(37)31-26(33)18-14-22(34-4)24(36-6)23(15-18)35-5/h7-16H,1-6H3,(H,29,32)(H2,30,31,33,37)