tert-butyl N-[4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]phenyl]carbamate CAS Name: N-[4-[[2-[(2-cyanophenyl)methylthio]ethylamino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[2-[(2-cyanophenyl)methylsulfanyl]ethylcarbamoyl]phenyl]carbamate Traditional Name: N-[4-[2-[(2-cyanobenzyl)thio]ethylcarbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2C#N

InChI

InChI=1S/C22H25N3O3S/c1-22(2,3)28-21(27)25-19-10-8-16(9-11-19)20(26)24-12-13-29-15-18-7-5-4-6-17(18)14-23/h4-11H,12-13,15H2,1-3H3,(H,24,26)(H,25,27)