[2-ethoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenyl] 2-bromanylbenzoate

Systemtic Name: [2-ethoxy-4-(4-methylpiperidin-1-yl)carbothioyl-phenyl] 2-bromanylbenzoate Openeye Name: [2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl] 2-bromobenzoate CAS Name: 2-bromobenzoic acid [2-ethoxy-4-[(4-methyl-1-piperidinyl)-sulfanylidenemethyl]phenyl] ester IUPAC Name: [2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl] 2-bromobenzoate Traditional Name: 2-bromobenzoic acid [2-ethoxy-4-(4-methylpiperidine-1-carbothioyl)phenyl] ester Formula: C22H24BrNO3S MolecularWeight: 462.39986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CCC(CC2)C)OC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CCC(CC2)C)OC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H24BrNO3S/c1-3-26-20-14-16(21(28)24-12-10-15(2)11-13-24)8-9-19(20)27-22(25)17-6-4-5-7-18(17)23/h4-9,14-15H,3,10-13H2,1-2H3