2-[(3,4-dimethylphenyl)carbamothioyl-methyl-amino]-N-(4-morpholin-4-ylphenyl)ethanamide

Systemtic Name: 2-[(3,4-dimethylphenyl)carbamothioyl-methyl-amino]-N-(4-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-[(3,4-dimethylphenyl)carbamothioyl-methyl-amino]-N-(4-morpholinophenyl)acetamide CAS Name: 2-[[(3,4-dimethylanilino)-sulfanylidenemethyl]-methylamino]-N-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[(3,4-dimethylphenyl)carbamothioyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(3,4-dimethylphenyl)thiocarbamoyl-methyl-amino]-N-(4-morpholinophenyl)acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2S/c1-16-4-5-19(14-17(16)2)24-22(29)25(3)15-21(27)23-18-6-8-20(9-7-18)26-10-12-28-13-11-26/h4-9,14H,10-13,15H2,1-3H3,(H,23,27)(H,24,29)