tert-butyl N-[4-(2-aminocarbonyl-6-tert-butyl-phenyl)-1-naphthalen-2-ylsulfanyl-3-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-(2-aminocarbonyl-6-tert-butyl-phenyl)-1-naphthalen-2-ylsulfanyl-3-oxidanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[3-(2-tert-butyl-6-carbamoyl-phenyl)-1-(2-naphthylsulfanylmethyl)-2-oxo-propyl]carbamate CAS Name: N-[4-(2-tert-butyl-6-carbamoylphenyl)-1-(2-naphthalenylthio)-3-oxobutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(2-tert-butyl-6-carbamoylphenyl)-1-naphthalen-2-ylsulfanyl-3-oxobutan-2-yl]carbamate Traditional Name: N-[3-(2-tert-butyl-6-carbamoyl-phenyl)-2-keto-1-[(2-naphthylthio)methyl]propyl]carbamic acid tert-butyl ester Formula: C30H36N2O4S MolecularWeight: 520.68284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC(=C1CC(=O)C(CSC2=CC3=CC=CC=C3C=C2)NC(=O)OC(C)(C)C)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=CC(=C1CC(=O)C(CSC2=CC3=CC=CC=C3C=C2)NC(=O)OC(C)(C)C)C(=O)N

InChI

InChI=1S/C30H36N2O4S/c1-29(2,3)24-13-9-12-22(27(31)34)23(24)17-26(33)25(32-28(35)36-30(4,5)6)18-37-21-15-14-19-10-7-8-11-20(19)16-21/h7-16,25H,17-18H2,1-6H3,(H2,31,34)(H,32,35)