2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(2,3-dimethylphenoxy)-N-[(4-morpholinophenyl)carbamothioyl]acetamide CAS Name: 2-(2,3-dimethylphenoxy)-N-[[4-(4-morpholinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(2,3-dimethylphenoxy)-N-[(4-morpholin-4-ylphenyl)carbamothioyl]acetamide Traditional Name: 2-(2,3-dimethylphenoxy)-N-[(4-morpholinophenyl)thiocarbamoyl]acetamide Formula: C21H25N3O3S MolecularWeight: 399.5065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)N3CCOCC3)C

InChI

InChI=1S/C21H25N3O3S/c1-15-4-3-5-19(16(15)2)27-14-20(25)23-21(28)22-17-6-8-18(9-7-17)24-10-12-26-13-11-24/h3-9H,10-14H2,1-2H3,(H2,22,23,25,28)