prop-2-enyl N'-[3-(aminomethyl)phenyl]carbamimidothioate

Systemtic Name: prop-2-enyl N'-[3-(aminomethyl)phenyl]carbamimidothioate Openeye Name: 2-allyl-3-[3-(aminomethyl)phenyl]isothiourea CAS Name: N'-[3-(aminomethyl)phenyl]carbamimidothioic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N'-[3-(aminomethyl)phenyl]carbamimidothioate Traditional Name: 2-allyl-3-[3-(aminomethyl)phenyl]isothiourea Formula: C11H15N3S MolecularWeight: 221.3219

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC(=NC1=CC=CC(=C1)CN)N

Isomeric SMILES

C=CCSC(=NC1=CC=CC(=C1)CN)N

InChI

InChI=1S/C11H15N3S/c1-2-6-15-11(13)14-10-5-3-4-9(7-10)8-12/h2-5,7H,1,6,8,12H2,(H2,13,14)