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

Systemtic Name: propyl 5-[(3-chlorophenyl)carbonylcarbamothioylamino]-2-morpholin-4-yl-benzoate Openeye Name: propyl 5-[(3-chlorobenzoyl)carbamothioylamino]-2-morpholino-benzoate CAS Name: 5-[[[[(3-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-2-(4-morpholinyl)benzoic acid propyl ester IUPAC Name: propyl 5-[(3-chlorobenzoyl)carbamothioylamino]-2-morpholin-4-ylbenzoate Traditional Name: 5-[(3-chlorobenzoyl)thiocarbamoylamino]-2-morpholino-benzoic acid propyl ester Formula: C22H24ClN3O4S MolecularWeight: 461.96166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O4S/c1-2-10-30-21(28)18-14-17(6-7-19(18)26-8-11-29-12-9-26)24-22(31)25-20(27)15-4-3-5-16(23)13-15/h3-7,13-14H,2,8-12H2,1H3,(H2,24,25,27,31)