1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(2R)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(2R)-2-phenyl-2-phenylsulfanyl-ethanoyl]amino]thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(2R)-2-phenyl-2-phenylsulfanyl-acetyl]amino]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(2R)-1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]thiourea Traditional Name: 1-homoveratryl-3-[[(2R)-2-phenyl-2-(phenylthio)acetyl]amino]thiourea Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)[C@@H](C2=CC=CC=C2)SC3=CC=CC=C3)OC

InChI

InChI=1S/C25H27N3O3S2/c1-30-21-14-13-18(17-22(21)31-2)15-16-26-25(32)28-27-24(29)23(19-9-5-3-6-10-19)33-20-11-7-4-8-12-20/h3-14,17,23H,15-16H2,1-2H3,(H,27,29)(H2,26,28,32)/t23-/m1/s1