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

Systemtic Name: [(2R)-2-[[4-(2-azanylethoxy)-3-methoxy-phenyl]methylcarbamothioylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate Openeye Name: [(2R)-2-[[4-(2-aminoethoxy)-3-methoxy-phenyl]methylcarbamothioylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2R)-2-[[[[4-(2-aminoethoxy)-3-methoxyphenyl]methylamino]-sulfanylidenemethyl]amino]-3-phenylpropyl] ester IUPAC Name: [(2R)-2-[[4-(2-aminoethoxy)-3-methoxyphenyl]methylcarbamothioylamino]-3-phenylpropyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2R)-2-[[4-(2-aminoethoxy)-3-methoxy-benzyl]thiocarbamoylamino]-3-phenyl-propyl] ester Formula: C25H35N3O4S MolecularWeight: 473.6281

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C(=O)OC[C@@H](CC1=CC=CC=C1)NC(=S)NCC2=CC(=C(C=C2)OCCN)OC

InChI

InChI=1S/C25H35N3O4S/c1-25(2,3)23(29)32-17-20(14-18-8-6-5-7-9-18)28-24(33)27-16-19-10-11-21(31-13-12-26)22(15-19)30-4/h5-11,15,20H,12-14,16-17,26H2,1-4H3,(H2,27,28,33)/t20-/m1/s1