3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl carbamimidothioate

Systemtic Name: 3-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)propyl carbamimidothioate Openeye Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]isothiourea CAS Name: carbamimidothioic acid 3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl ester IUPAC Name: 3-(4-acetyl-3-hydroxy-2-propylphenoxy)propyl carbamimidothioate Traditional Name: 2-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy)propyl]isothiourea Formula: C15H22N2O3S MolecularWeight: 310.41178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC(=N)N

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCSC(=N)N

InChI

InChI=1S/C15H22N2O3S/c1-3-5-12-13(20-8-4-9-21-15(16)17)7-6-11(10(2)18)14(12)19/h6-7,19H,3-5,8-9H2,1-2H3,(H3,16,17)