2-azanylethyl N'-(4-hydroxyphenyl)carbamimidothioate

Systemtic Name: 2-azanylethyl N'-(4-hydroxyphenyl)carbamimidothioate Openeye Name: 2-(2-aminoethyl)-3-(4-hydroxyphenyl)isothiourea CAS Name: N'-(4-hydroxyphenyl)carbamimidothioic acid 2-aminoethyl ester IUPAC Name: 2-aminoethyl N'-(4-hydroxyphenyl)carbamimidothioate Traditional Name: 2-(2-aminoethyl)-3-(4-hydroxyphenyl)isothiourea Formula: C9H13N3OS MolecularWeight: 211.28402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N=C(N)SCCN)O

Isomeric SMILES

C1=CC(=CC=C1N=C(N)SCCN)O

InChI

InChI=1S/C9H13N3OS/c10-5-6-14-9(11)12-7-1-3-8(13)4-2-7/h1-4,13H,5-6,10H2,(H2,11,12)