tert-butyl N-[[4-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethylcarbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[2-[(5-bromanylthiophen-2-yl)methylsulfanyl]ethylcarbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[2-[(5-bromo-2-thienyl)methylsulfanyl]ethylcarbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[2-[(5-bromo-2-thiophenyl)methylthio]ethylamino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[2-[(5-bromothiophen-2-yl)methylsulfanyl]ethylcarbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[2-[(5-bromo-2-thienyl)methylthio]ethylcarbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C20H25BrN2O3S2 MolecularWeight: 485.4581

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCCSCC2=CC=C(S2)Br

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCCSCC2=CC=C(S2)Br

InChI

InChI=1S/C20H25BrN2O3S2/c1-20(2,3)26-19(25)23-12-14-4-6-15(7-5-14)18(24)22-10-11-27-13-16-8-9-17(21)28-16/h4-9H,10-13H2,1-3H3,(H,22,24)(H,23,25)