tert-butyl N-[5-bromanyl-2-[2-(dimethylaminomethyl)phenyl]sulfanyl-phenyl]carbamate

Systemtic Name: tert-butyl N-[5-bromanyl-2-[2-(dimethylaminomethyl)phenyl]sulfanyl-phenyl]carbamate Openeye Name: tert-butyl N-[5-bromo-2-[2-(dimethylaminomethyl)phenyl]sulfanyl-phenyl]carbamate CAS Name: N-[5-bromo-2-[[2-(dimethylaminomethyl)phenyl]thio]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-bromo-2-[2-(dimethylaminomethyl)phenyl]sulfanylphenyl]carbamate Traditional Name: N-[5-bromo-2-[[2-(dimethylaminomethyl)phenyl]thio]phenyl]carbamic acid tert-butyl ester Formula: C20H25BrN2O2S MolecularWeight: 437.3937

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)Br)SC2=CC=CC=C2CN(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)Br)SC2=CC=CC=C2CN(C)C

InChI

InChI=1S/C20H25BrN2O2S/c1-20(2,3)25-19(24)22-16-12-15(21)10-11-18(16)26-17-9-7-6-8-14(17)13-23(4)5/h6-12H,13H2,1-5H3,(H,22,24)