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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N(C)CC(=O)NC2=CC=C(C=C2)N3CCOCC3

InChI

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