[(E)-3-[4-(2-azanylethoxy)phenyl]prop-2-enyl] carbamimidothioate

Systemtic Name: [(E)-3-[4-(2-azanylethoxy)phenyl]prop-2-enyl] carbamimidothioate Openeye Name: 2-[(E)-3-[4-(2-aminoethoxy)phenyl]allyl]isothiourea CAS Name: carbamimidothioic acid [(E)-3-[4-(2-aminoethoxy)phenyl]prop-2-enyl] ester IUPAC Name: [(E)-3-[4-(2-aminoethoxy)phenyl]prop-2-enyl] carbamimidothioate Traditional Name: 2-[(E)-3-[4-(2-aminoethoxy)phenyl]allyl]isothiourea Formula: C12H17N3OS MolecularWeight: 251.34788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CCSC(=N)N)OCCN

Isomeric SMILES

C1=CC(=CC=C1/C=C/CSC(=N)N)OCCN

InChI

InChI=1S/C12H17N3OS/c13-7-8-16-11-5-3-10(4-6-11)2-1-9-17-12(14)15/h1-6H,7-9,13H2,(H3,14,15)/b2-1+