1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenylsulfanylpropanoylamino)thiourea

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenylsulfanylpropanoylamino)thiourea Openeye Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenylsulfanylpropanoylamino)thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[1-oxo-3-(phenylthio)propyl]amino]thiourea IUPAC Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-phenylsulfanylpropanoylamino)thiourea Traditional Name: 1-homoveratryl-3-[3-(phenylthio)propanoylamino]thiourea Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CCSC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CCSC2=CC=CC=C2)OC

InChI

InChI=1S/C20H25N3O3S2/c1-25-17-9-8-15(14-18(17)26-2)10-12-21-20(27)23-22-19(24)11-13-28-16-6-4-3-5-7-16/h3-9,14H,10-13H2,1-2H3,(H,22,24)(H2,21,23,27)