N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: N-[[3-[(4-tert-butylphenyl)carbonylamino]phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: N-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: N-[[3-[(4-tert-butylbenzoyl)amino]phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C31H37N3O3S MolecularWeight: 531.70878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C31H37N3O3S/c1-5-6-7-10-20-37-27-15-9-8-14-26(27)29(36)34-30(38)33-25-13-11-12-24(21-25)32-28(35)22-16-18-23(19-17-22)31(2,3)4/h8-9,11-19,21H,5-7,10,20H2,1-4H3,(H,32,35)(H2,33,34,36,38)