tert-butyl N-[[4-[2-(thiophen-2-ylmethylsulfanyl)ethylcarbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[2-(thiophen-2-ylmethylsulfanyl)ethylcarbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[2-(2-thienylmethylsulfanyl)ethylcarbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[oxo-[2-(thiophen-2-ylmethylthio)ethylamino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[2-(thiophen-2-ylmethylsulfanyl)ethylcarbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[2-(2-thenylthio)ethylcarbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C20H26N2O3S2 MolecularWeight: 406.56204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CS2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CS2

InChI

InChI=1S/C20H26N2O3S2/c1-20(2,3)25-19(24)22-13-15-6-8-16(9-7-15)18(23)21-10-12-26-14-17-5-4-11-27-17/h4-9,11H,10,12-14H2,1-3H3,(H,21,23)(H,22,24)