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

Systemtic Name: N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-3,5-dimethoxy-benzamide Openeye Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3,5-dimethoxy-benzamide CAS Name: N-[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-3,5-dimethoxybenzamide IUPAC Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-3,5-dimethoxybenzamide Traditional Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-3,5-dimethoxy-benzamide Formula: C27H29N3O4S MolecularWeight: 491.60186

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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=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C27H29N3O4S/c1-27(2,3)19-8-6-17(7-9-19)24(31)28-20-10-12-21(13-11-20)29-26(35)30-25(32)18-14-22(33-4)16-23(15-18)34-5/h6-16H,1-5H3,(H,28,31)(H2,29,30,32,35)