[2-[[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]methyl]-3-phenyl-propyl] 2-methylpropanoate

Systemtic Name: [2-[[(3-methoxy-4-oxidanyl-phenyl)methylcarbamothioylamino]methyl]-3-phenyl-propyl] 2-methylpropanoate Openeye Name: [2-benzyl-3-[(4-hydroxy-3-methoxy-phenyl)methylcarbamothioylamino]propyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-[[[[(4-hydroxy-3-methoxyphenyl)methylamino]-sulfanylidenemethyl]amino]methyl]-3-phenylpropyl] ester IUPAC Name: [2-benzyl-3-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]propyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-benzyl-3-(vanillylthiocarbamoylamino)propyl] ester Formula: C23H30N2O4S MolecularWeight: 430.5603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O4S/c1-16(2)22(27)29-15-19(11-17-7-5-4-6-8-17)14-25-23(30)24-13-18-9-10-20(26)21(12-18)28-3/h4-10,12,16,19,26H,11,13-15H2,1-3H3,(H2,24,25,30)