[4-(6-methylheptoxy)phenyl]methyl carbamimidothioate

Systemtic Name: [4-(6-methylheptoxy)phenyl]methyl carbamimidothioate Openeye Name: 2-[[4-(6-methylheptoxy)phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [4-(6-methylheptoxy)phenyl]methyl ester IUPAC Name: [4-(6-methylheptoxy)phenyl]methyl carbamimidothioate Traditional Name: 2-[4-(6-methylheptoxy)benzyl]isothiourea Formula: C16H26N2OS MolecularWeight: 294.45544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCOC1=CC=C(C=C1)CSC(=N)N

Isomeric SMILES

CC(C)CCCCCOC1=CC=C(C=C1)CSC(=N)N

InChI

InChI=1S/C16H26N2OS/c1-13(2)6-4-3-5-11-19-15-9-7-14(8-10-15)12-20-16(17)18/h7-10,13H,3-6,11-12H2,1-2H3,(H3,17,18)