ethyl 4-[(4-morpholin-4-ylcarbonylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-morpholin-4-ylcarbonylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-(morpholine-4-carbonyl)phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCOCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C21H23N3O4S/c1-2-28-20(26)16-5-9-18(10-6-16)23-21(29)22-17-7-3-15(4-8-17)19(25)24-11-13-27-14-12-24/h3-10H,2,11-14H2,1H3,(H2,22,23,29)