tert-butyl N-[3-(1H-imidazol-5-ylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-(1H-imidazol-5-ylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(1H-imidazol-5-ylmethylsulfanylmethyl)-2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]carbamate CAS Name: N-[3-(1H-imidazol-5-ylmethylthio)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(1H-imidazol-5-ylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[(1H-imidazol-5-ylmethylthio)methyl]-2-keto-2-(p-anisylamino)ethyl]carbamic acid tert-butyl ester Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1=CN=CN1)C(=O)NCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CN=CN1)C(=O)NCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H28N4O4S/c1-20(2,3)28-19(26)24-17(12-29-11-15-10-21-13-23-15)18(25)22-9-14-5-7-16(27-4)8-6-14/h5-8,10,13,17H,9,11-12H2,1-4H3,(H,21,23)(H,22,25)(H,24,26)