(4-pentoxyphenyl)methyl carbamimidothioate

Systemtic Name: (4-pentoxyphenyl)methyl carbamimidothioate Openeye Name: 2-[(4-pentoxyphenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (4-pentoxyphenyl)methyl ester IUPAC Name: (4-pentoxyphenyl)methyl carbamimidothioate Traditional Name: 2-(4-amoxybenzyl)isothiourea Formula: C13H20N2OS MolecularWeight: 252.3757

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CSC(=N)N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)CSC(=N)N

InChI

InChI=1S/C13H20N2OS/c1-2-3-4-9-16-12-7-5-11(6-8-12)10-17-13(14)15/h5-8H,2-4,9-10H2,1H3,(H3,14,15)