(4-methoxyphenyl)methyl N'-azanylcarbamimidothioate

Systemtic Name: (4-methoxyphenyl)methyl N'-azanylcarbamimidothioate Openeye Name: 3-amino-2-[(4-methoxyphenyl)methyl]isothiourea CAS Name: N'-aminocarbamimidothioic acid (4-methoxyphenyl)methyl ester IUPAC Name: (4-methoxyphenyl)methyl N'-aminocarbamimidothioate Traditional Name: 3-amino-2-p-anisyl-isothiourea Formula: C9H13N3OS MolecularWeight: 211.28402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC(=NN)N

Isomeric SMILES

COC1=CC=C(C=C1)CS/C(=N/N)/N

InChI

InChI=1S/C9H13N3OS/c1-13-8-4-2-7(3-5-8)6-14-9(10)12-11/h2-5H,6,11H2,1H3,(H2,10,12)