[(E)-3-(3,4-dimethoxyphenyl)pent-2-enyl] carbamimidothioate

Systemtic Name: [(E)-3-(3,4-dimethoxyphenyl)pent-2-enyl] carbamimidothioate Openeye Name: 2-[(E)-3-(3,4-dimethoxyphenyl)pent-2-enyl]isothiourea CAS Name: carbamimidothioic acid [(E)-3-(3,4-dimethoxyphenyl)pent-2-enyl] ester IUPAC Name: [(E)-3-(3,4-dimethoxyphenyl)pent-2-enyl] carbamimidothioate Traditional Name: 2-[(E)-3-(3,4-dimethoxyphenyl)pent-2-enyl]isothiourea Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CCSC(=N)N)C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC/C(=C\CSC(=N)N)/C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C14H20N2O2S/c1-4-10(7-8-19-14(15)16)11-5-6-12(17-2)13(9-11)18-3/h5-7,9H,4,8H2,1-3H3,(H3,15,16)/b10-7+