tert-butyl N-[3-cyclohexyl-1-[methylsulfanyl-[1-(4-nitrophenyl)ethyl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-cyclohexyl-1-[methylsulfanyl-[1-(4-nitrophenyl)ethyl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(cyclohexylmethyl)-2-[methylsulfanyl-[1-(4-nitrophenyl)ethyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[3-cyclohexyl-1-[(methylthio)-[1-(4-nitrophenyl)ethyl]amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-cyclohexyl-1-[methylsulfanyl-[1-(4-nitrophenyl)ethyl]amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-(cyclohexylmethyl)-2-keto-2-[(methylthio)-[1-(4-nitrophenyl)ethyl]amino]ethyl]carbamic acid tert-butyl ester Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)[N+](=O)[O-])N(C(=O)C(CC2CCCCC2)NC(=O)OC(C)(C)C)SC

Isomeric SMILES

CC(C1=CC=C(C=C1)[N+](=O)[O-])N(C(=O)C(CC2CCCCC2)NC(=O)OC(C)(C)C)SC

InChI

InChI=1S/C23H35N3O5S/c1-16(18-11-13-19(14-12-18)26(29)30)25(32-5)21(27)20(15-17-9-7-6-8-10-17)24-22(28)31-23(2,3)4/h11-14,16-17,20H,6-10,15H2,1-5H3,(H,24,28)