[3-methyl-4-(3-methylbutoxy)phenyl]methyl carbamimidothioate

Systemtic Name: [3-methyl-4-(3-methylbutoxy)phenyl]methyl carbamimidothioate Openeye Name: 2-[(4-isopentyloxy-3-methyl-phenyl)methyl]isothiourea CAS Name: carbamimidothioic acid [3-methyl-4-(3-methylbutoxy)phenyl]methyl ester IUPAC Name: [3-methyl-4-(3-methylbutoxy)phenyl]methyl carbamimidothioate Traditional Name: 2-(4-isoamoxy-3-methyl-benzyl)isothiourea Formula: C14H22N2OS MolecularWeight: 266.40228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CSC(=N)N)OCCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)CSC(=N)N)OCCC(C)C

InChI

InChI=1S/C14H22N2OS/c1-10(2)6-7-17-13-5-4-12(8-11(13)3)9-18-14(15)16/h4-5,8,10H,6-7,9H2,1-3H3,(H3,15,16)