(4-tert-butylphenyl)methyl N-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methylsulfanyl]carbamate

Systemtic Name: (4-tert-butylphenyl)methyl N-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methylsulfanyl]carbamate Openeye Name: (4-tert-butylphenyl)methyl N-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methylsulfanyl]carbamate CAS Name: N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methylthio]carbamic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N-[[4-(2-aminoethoxy)-3-methoxyphenyl]methylsulfanyl]carbamate Traditional Name: N-[[4-(2-aminoethoxy)-3-methoxy-benzyl]thio]carbamic acid (4-tert-butylbenzyl) ester Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)NSCC2=CC(=C(C=C2)OCCN)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)NSCC2=CC(=C(C=C2)OCCN)OC

InChI

InChI=1S/C22H30N2O4S/c1-22(2,3)18-8-5-16(6-9-18)14-28-21(25)24-29-15-17-7-10-19(27-12-11-23)20(13-17)26-4/h5-10,13H,11-12,14-15,23H2,1-4H3,(H,24,25)