ethyl 4-morpholin-4-yl-3-(phenylcarbonylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-morpholin-4-yl-3-(phenylcarbonylcarbamothioylamino)benzoate Openeye Name: ethyl 3-(benzoylcarbamothioylamino)-4-morpholino-benzoate CAS Name: 3-[[benzamido(sulfanylidene)methyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-(benzoylcarbamothioylamino)-4-morpholin-4-ylbenzoate Traditional Name: 3-(benzoylthiocarbamoylamino)-4-morpholino-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)N2CCOCC2)NC(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=CC=C3

InChI

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