[1-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate

Systemtic Name: [1-[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate Openeye Name: [1-[(4-hydroxy-3-methoxy-phenyl)methylcarbamothioylamino]-3-phenyl-propyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [1-[[[(4-hydroxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]-3-phenylpropyl] ester IUPAC Name: [1-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]-3-phenylpropyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [3-phenyl-1-(vanillylthiocarbamoylamino)propyl] ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC(CCC1=CC=CC=C1)NC(=S)NCC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CC(C)(C)C(=O)OC(CCC1=CC=CC=C1)NC(=S)NCC2=CC(=C(C=C2)O)OC

InChI

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