O-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl] N-[(4-tert-butylphenyl)methyl]carbamothioate

Systemtic Name: O-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl] N-[(4-tert-butylphenyl)methyl]carbamothioate Openeye Name: O-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methyl] N-[(4-tert-butylphenyl)methyl]carbamothioate CAS Name: N-[(4-tert-butylphenyl)methyl]carbamothioic acid O-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl] ester IUPAC Name: O-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl] N-[(4-tert-butylphenyl)methyl]carbamothioate Traditional Name: N-(4-tert-butylbenzyl)thiocarbamic acid O-[4-(2-aminoethoxy)-3-methoxy-benzyl] ester Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CNC(=S)OCC2=CC(=C(C=C2)OCCN)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CNC(=S)OCC2=CC(=C(C=C2)OCCN)OC

InChI

InChI=1S/C22H30N2O3S/c1-22(2,3)18-8-5-16(6-9-18)14-24-21(28)27-15-17-7-10-19(26-12-11-23)20(13-17)25-4/h5-10,13H,11-12,14-15,23H2,1-4H3,(H,24,28)