ethyl 3-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: ethyl 3-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-[(3,5-dimethylbenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(3,5-dimethylbenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(3,5-dimethylbenzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid ethyl ester Formula: C23H27N3O4S MolecularWeight: 441.54318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC(=CC(=C3)C)C

InChI

InChI=1S/C23H27N3O4S/c1-4-30-22(28)17-5-6-20(26-7-9-29-10-8-26)19(14-17)24-23(31)25-21(27)18-12-15(2)11-16(3)13-18/h5-6,11-14H,4,7-10H2,1-3H3,(H2,24,25,27,31)