tert-butyl N-[[4-[methyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[methyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[methyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[methyl-[[4-(methylthio)phenyl]methyl]amino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[methyl-[(4-methylsulfanylphenyl)methyl]carbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[methyl-[4-(methylthio)benzyl]carbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N(C)CC2=CC=C(C=C2)SC

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N(C)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C22H28N2O3S/c1-22(2,3)27-21(26)23-14-16-6-10-18(11-7-16)20(25)24(4)15-17-8-12-19(28-5)13-9-17/h6-13H,14-15H2,1-5H3,(H,23,26)