ethyl 2-morpholin-4-yl-5-[(1-phenylcyclopentyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: ethyl 2-morpholin-4-yl-5-[(1-phenylcyclopentyl)carbonylcarbamothioylamino]benzoate Openeye Name: ethyl 2-morpholino-5-[(1-phenylcyclopentanecarbonyl)carbamothioylamino]benzoate CAS Name: 2-(4-morpholinyl)-5-[[[[oxo-(1-phenylcyclopentyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-morpholin-4-yl-5-[(1-phenylcyclopentanecarbonyl)carbamothioylamino]benzoate Traditional Name: 2-morpholino-5-[(1-phenylcyclopentanecarbonyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2(CCCC2)C3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)NC(=S)NC(=O)C2(CCCC2)C3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C26H31N3O4S/c1-2-33-23(30)21-18-20(10-11-22(21)29-14-16-32-17-15-29)27-25(34)28-24(31)26(12-6-7-13-26)19-8-4-3-5-9-19/h3-5,8-11,18H,2,6-7,12-17H2,1H3,(H2,27,28,31,34)