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

Systemtic Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiourea Openeye Name: 1-[(2-benzylsulfanylacetyl)amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]thiourea IUPAC Name: 1-[(2-benzylsulfanylacetyl)amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-[[2-(benzylthio)acetyl]amino]-3-homoveratryl-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)CSCC2=CC=CC=C2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CSCC2=CC=CC=C2)OC

InChI

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