N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-3-phenethyloxy-benzamide

Systemtic Name: N-[[(3,4-dimethoxyphenyl)carbonylamino]carbamothioyl]-3-phenethyloxy-benzamide Openeye Name: N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-3-phenethyloxy-benzamide CAS Name: N-[[[(3,4-dimethoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-phenethyloxybenzamide IUPAC Name: N-[[(3,4-dimethoxybenzoyl)amino]carbamothioyl]-3-phenethyloxybenzamide Traditional Name: 3-phenethyloxy-N-[(veratroylamino)thiocarbamoyl]benzamide Formula: C25H25N3O5S MolecularWeight: 479.5481

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC(=CC=C2)OCCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H25N3O5S/c1-31-21-12-11-19(16-22(21)32-2)24(30)27-28-25(34)26-23(29)18-9-6-10-20(15-18)33-14-13-17-7-4-3-5-8-17/h3-12,15-16H,13-14H2,1-2H3,(H,27,30)(H2,26,28,29,34)