(4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 4-methylbenzoate

Systemtic Name: (4-bromanyl-2-morpholin-4-ylcarbothioyl-phenyl) 4-methylbenzoate Openeye Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [4-bromo-2-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [4-bromo-2-(morpholine-4-carbothioyl)phenyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [4-bromo-2-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Br)C(=S)N3CCOCC3

InChI

InChI=1S/C19H18BrNO3S/c1-13-2-4-14(5-3-13)19(22)24-17-7-6-15(20)12-16(17)18(25)21-8-10-23-11-9-21/h2-7,12H,8-11H2,1H3