S-[(1R,2R)-2-[bis(2-methoxyethyl)amino]cyclohexyl] 4-bromanylbenzenecarbothioate

Systemtic Name: S-[(1R,2R)-2-[bis(2-methoxyethyl)amino]cyclohexyl] 4-bromanylbenzenecarbothioate Openeye Name: S-[(1R,2R)-2-[bis(2-methoxyethyl)amino]cyclohexyl] 4-bromobenzenecarbothioate CAS Name: 4-bromobenzenecarbothioic acid S-[(1R,2R)-2-[bis(2-methoxyethyl)amino]cyclohexyl] ester IUPAC Name: S-[(1R,2R)-2-[bis(2-methoxyethyl)amino]cyclohexyl] 4-bromobenzenecarbothioate Traditional Name: 4-bromothiobenzoic acid S-[(1R,2R)-2-[bis(2-methoxyethyl)amino]cyclohexyl] ester Formula: C19H28BrNO3S MolecularWeight: 430.39952

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(CCOC)C1CCCCC1SC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COCCN(CCOC)[C@@H]1CCCC[C@H]1SC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C19H28BrNO3S/c1-23-13-11-21(12-14-24-2)17-5-3-4-6-18(17)25-19(22)15-7-9-16(20)10-8-15/h7-10,17-18H,3-6,11-14H2,1-2H3/t17-,18-/m1/s1