propyl 5-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate

Systemtic Name: propyl 5-[(3,5-dimethylphenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[(3,5-dimethylbenzoyl)carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[(3,5-dimethylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[(3,5-dimethylbenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(3,5-dimethylbenzoyl)thiocarbamoylamino]-2-morpholino-benzoic acid propyl ester Formula: C24H29N3O4S MolecularWeight: 455.56976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)C)C)N3CCOCC3

Isomeric SMILES

CCCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC(=CC(=C2)C)C)N3CCOCC3

InChI

InChI=1S/C24H29N3O4S/c1-4-9-31-23(29)20-15-19(5-6-21(20)27-7-10-30-11-8-27)25-24(32)26-22(28)18-13-16(2)12-17(3)14-18/h5-6,12-15H,4,7-11H2,1-3H3,(H2,25,26,28,32)