1-(3,4-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)thiourea

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)thiourea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)thiourea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[3-(methylthio)propyl]thiourea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-(3-methylsulfanylpropyl)thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[3-(methylthio)propyl]thiourea Formula: C13H20N2O2S2 MolecularWeight: 300.4401

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NCCCSC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NCCCSC)OC

InChI

InChI=1S/C13H20N2O2S2/c1-16-11-6-5-10(9-12(11)17-2)15-13(18)14-7-4-8-19-3/h5-6,9H,4,7-8H2,1-3H3,(H2,14,15,18)