ethyl 3-[(2-bromophenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate

Systemtic Name: ethyl 3-[(2-bromophenyl)carbonylcarbamothioylamino]-4-morpholin-4-yl-benzoate Openeye Name: ethyl 3-[(2-bromobenzoyl)carbamothioylamino]-4-morpholino-benzoate CAS Name: 3-[[[[(2-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-(4-morpholinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[(2-bromobenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate Traditional Name: 3-[(2-bromobenzoyl)thiocarbamoylamino]-4-morpholino-benzoic acid ethyl ester Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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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=C3Br

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C21H22BrN3O4S/c1-2-29-20(27)14-7-8-18(25-9-11-28-12-10-25)17(13-14)23-21(30)24-19(26)15-5-3-4-6-16(15)22/h3-8,13H,2,9-12H2,1H3,(H2,23,24,26,30)