[2-[[[4-(2-azanylethoxy)-3-methoxy-phenyl]methylcarbamothioylamino]methyl]-3-phenyl-propyl] 2,2-dimethylpropanoate

Systemtic Name: [2-[[[4-(2-azanylethoxy)-3-methoxy-phenyl]methylcarbamothioylamino]methyl]-3-phenyl-propyl] 2,2-dimethylpropanoate Openeye Name: [2-[[[4-(2-aminoethoxy)-3-methoxy-phenyl]methylcarbamothioylamino]methyl]-3-phenyl-propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [2-[[[[[4-(2-aminoethoxy)-3-methoxyphenyl]methylamino]-sulfanylidenemethyl]amino]methyl]-3-phenylpropyl] ester IUPAC Name: [2-[[[4-(2-aminoethoxy)-3-methoxyphenyl]methylcarbamothioylamino]methyl]-3-phenylpropyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [2-[[[4-(2-aminoethoxy)-3-methoxy-benzyl]thiocarbamoylamino]methyl]-3-phenyl-propyl] ester Formula: C26H37N3O4S MolecularWeight: 487.65468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC(CC1=CC=CC=C1)CNC(=S)NCC2=CC(=C(C=C2)OCCN)OC

Isomeric SMILES

CC(C)(C)C(=O)OCC(CC1=CC=CC=C1)CNC(=S)NCC2=CC(=C(C=C2)OCCN)OC

InChI

InChI=1S/C26H37N3O4S/c1-26(2,3)24(30)33-18-21(14-19-8-6-5-7-9-19)17-29-25(34)28-16-20-10-11-22(32-13-12-27)23(15-20)31-4/h5-11,15,21H,12-14,16-18,27H2,1-4H3,(H2,28,29,34)