tert-butyl N-[3-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-oxo-propyl]carbamate CAS Name: N-[3-[2-[(2-cyanophenyl)methylthio]ethylamino]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[2-[(2-cyanophenyl)methylsulfanyl]ethylamino]-3-oxopropyl]carbamate Traditional Name: N-[3-[2-[(2-cyanobenzyl)thio]ethylamino]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C18H25N3O3S MolecularWeight: 363.4744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)NCCSCC1=CC=CC=C1C#N

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)NCCSCC1=CC=CC=C1C#N

InChI

InChI=1S/C18H25N3O3S/c1-18(2,3)24-17(23)21-9-8-16(22)20-10-11-25-13-15-7-5-4-6-14(15)12-19/h4-7H,8-11,13H2,1-3H3,(H,20,22)(H,21,23)