2-[(3,5-dimethylphenyl)carbamothioyl-methyl-amino]-N-(4-morpholin-4-ylphenyl)ethanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)carbamothioyl-methyl-amino]-N-(4-morpholin-4-ylphenyl)ethanamide Openeye Name: 2-[(3,5-dimethylphenyl)carbamothioyl-methyl-amino]-N-(4-morpholinophenyl)acetamide CAS Name: 2-[[(3,5-dimethylanilino)-sulfanylidenemethyl]-methylamino]-N-[4-(4-morpholinyl)phenyl]acetamide IUPAC Name: 2-[(3,5-dimethylphenyl)carbamothioyl-methylamino]-N-(4-morpholin-4-ylphenyl)acetamide Traditional Name: 2-[(3,5-dimethylphenyl)thiocarbamoyl-methyl-amino]-N-(4-morpholinophenyl)acetamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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