(4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 3-chloranylbenzoate

Systemtic Name: (4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 3-chloranylbenzoate Openeye Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 3-chlorobenzoate CAS Name: 3-chlorobenzoic acid [4-bromo-2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 3-chlorobenzoate Traditional Name: 3-chlorobenzoic acid [4-bromo-2-(morpholine-4-carbothioyl)phenyl] ester Formula: C18H15BrClNO3S MolecularWeight: 440.7386

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

C1COCCN1C(=S)C2=C(C=CC(=C2)Br)OC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H15BrClNO3S/c19-13-4-5-16(24-18(22)12-2-1-3-14(20)10-12)15(11-13)17(25)21-6-8-23-9-7-21/h1-5,10-11H,6-9H2