[(2S)-2-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate

Systemtic Name: [(2S)-2-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate Openeye Name: [(2S)-2-[(4-hydroxy-3-methoxy-phenyl)methylcarbamothioylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2S)-2-[[[(4-hydroxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-3-phenylpropyl] ester IUPAC Name: [(2S)-2-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]-3-phenylpropyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2S)-3-phenyl-2-(vanillylthiocarbamoylamino)propyl] ester Formula: C23H30N2O4S MolecularWeight: 430.5603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S/c1-23(2,3)21(27)29-15-18(12-16-8-6-5-7-9-16)25-22(30)24-14-17-10-11-19(26)20(13-17)28-4/h5-11,13,18,26H,12,14-15H2,1-4H3,(H2,24,25,30)/t18-/m0/s1