N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: N-[[4-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: N-[[4-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-ethoxybenzamide IUPAC Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: N-[[4-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-2-ethoxy-benzamide Formula: C27H29N3O3S MolecularWeight: 475.60246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H29N3O3S/c1-5-33-23-9-7-6-8-22(23)25(32)30-26(34)29-21-16-14-20(15-17-21)28-24(31)18-10-12-19(13-11-18)27(2,3)4/h6-17H,5H2,1-4H3,(H,28,31)(H2,29,30,32,34)