ethyl N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamimidothioate

Systemtic Name: ethyl N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamimidothioate Openeye Name: 2-ethyl-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)isothiourea CAS Name: N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-(1,2,3,4-tetrahydroisoquinolin-7-yl)carbamimidothioate Traditional Name: 2-ethyl-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)isothiourea Formula: C12H17N3S MolecularWeight: 235.34848

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NC1=CC2=C(CCNC2)C=C1)N

Isomeric SMILES

CCSC(=NC1=CC2=C(CCNC2)C=C1)N

InChI

InChI=1S/C12H17N3S/c1-2-16-12(13)15-11-4-3-9-5-6-14-8-10(9)7-11/h3-4,7,14H,2,5-6,8H2,1H3,(H2,13,15)