(3-chloranyl-4-hexoxy-phenyl)methyl carbamimidothioate

Systemtic Name: (3-chloranyl-4-hexoxy-phenyl)methyl carbamimidothioate Openeye Name: 2-[(3-chloro-4-hexoxy-phenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (3-chloro-4-hexoxyphenyl)methyl ester IUPAC Name: (3-chloro-4-hexoxyphenyl)methyl carbamimidothioate Traditional Name: 2-(3-chloro-4-hexoxy-benzyl)isothiourea Formula: C14H21ClN2OS MolecularWeight: 300.84734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)CSC(=N)N)Cl

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)CSC(=N)N)Cl

InChI

InChI=1S/C14H21ClN2OS/c1-2-3-4-5-8-18-13-7-6-11(9-12(13)15)10-19-14(16)17/h6-7,9H,2-5,8,10H2,1H3,(H3,16,17)