methyl 4-morpholin-4-yl-3-[(1-phenylcyclopentyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-morpholin-4-yl-3-[(1-phenylcyclopentyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-morpholino-3-[(1-phenylcyclopentanecarbonyl)carbamothioylamino]benzoate CAS Name: 4-(4-morpholinyl)-3-[[[[oxo-(1-phenylcyclopentyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-morpholin-4-yl-3-[(1-phenylcyclopentanecarbonyl)carbamothioylamino]benzoate Traditional Name: 4-morpholino-3-[(1-phenylcyclopentanecarbonyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3(CCCC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3(CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C25H29N3O4S/c1-31-22(29)18-9-10-21(28-13-15-32-16-14-28)20(17-18)26-24(33)27-23(30)25(11-5-6-12-25)19-7-3-2-4-8-19/h2-4,7-10,17H,5-6,11-16H2,1H3,(H2,26,27,30,33)