tert-butyl N-[1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-3-(pyridin-4-ylmethylsulfanyl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-3-(pyridin-4-ylmethylsulfanyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-[(4-methoxyphenyl)methylamino]-2-oxo-1-(4-pyridylmethylsulfanylmethyl)ethyl]carbamate CAS Name: N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-(pyridin-4-ylmethylthio)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(4-methoxyphenyl)methylamino]-1-oxo-3-(pyridin-4-ylmethylsulfanyl)propan-2-yl]carbamate Traditional Name: N-[2-keto-2-(p-anisylamino)-1-[(4-pyridylmethylthio)methyl]ethyl]carbamic acid tert-butyl ester Formula: C22H29N3O4S MolecularWeight: 431.54836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CC=NC=C1)C(=O)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC=NC=C1)C(=O)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C22H29N3O4S/c1-22(2,3)29-21(27)25-19(15-30-14-17-9-11-23-12-10-17)20(26)24-13-16-5-7-18(28-4)8-6-16/h5-12,19H,13-15H2,1-4H3,(H,24,26)(H,25,27)