[1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl-carbamothioyl-amino]-3-phenyl-propyl] 2,2-dimethylpropanoate

Systemtic Name: [1-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methyl-carbamothioyl-amino]-3-phenyl-propyl] 2,2-dimethylpropanoate Openeye Name: [1-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methyl-carbamothioyl-amino]-3-phenyl-propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl-carbamothioylamino]-3-phenylpropyl] ester IUPAC Name: [1-[[4-(2-aminoethoxy)-3-methoxyphenyl]methyl-carbamothioylamino]-3-phenylpropyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [1-[[4-(2-aminoethoxy)-3-methoxy-benzyl]-thiocarbamoyl-amino]-3-phenyl-propyl] ester Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(CCC1=CC=CC=C1)N(CC2=CC(=C(C=C2)OCCN)OC)C(=S)N

Isomeric SMILES

CC(C)(C)C(=O)OC(CCC1=CC=CC=C1)N(CC2=CC(=C(C=C2)OCCN)OC)C(=S)N

InChI

InChI=1S/C25H35N3O4S/c1-25(2,3)23(29)32-22(13-11-18-8-6-5-7-9-18)28(24(27)33)17-19-10-12-20(31-15-14-26)21(16-19)30-4/h5-10,12,16,22H,11,13-15,17,26H2,1-4H3,(H2,27,33)