[2,6-bis(bromanyl)-4-morpholin-4-ylcarbothioyl-phenyl] 3-methylbenzoate

Systemtic Name: [2,6-bis(bromanyl)-4-morpholin-4-ylcarbothioyl-phenyl] 3-methylbenzoate Openeye Name: [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [2,6-dibromo-4-[4-morpholinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [2,6-dibromo-4-(morpholine-4-carbothioyl)phenyl] ester Formula: C19H17Br2NO3S MolecularWeight: 499.21618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2Br)C(=S)N3CCOCC3)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC2=C(C=C(C=C2Br)C(=S)N3CCOCC3)Br

InChI

InChI=1S/C19H17Br2NO3S/c1-12-3-2-4-13(9-12)19(23)25-17-15(20)10-14(11-16(17)21)18(26)22-5-7-24-8-6-22/h2-4,9-11H,5-8H2,1H3