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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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