methyl N-(4-bromanyl-2-methyl-phenyl)-N'-(3-methoxypropyl)carbamimidothioate

Systemtic Name: methyl N-(4-bromanyl-2-methyl-phenyl)-N'-(3-methoxypropyl)carbamimidothioate Openeye Name: 1-(4-bromo-2-methyl-phenyl)-3-(3-methoxypropyl)-2-methyl-isothiourea CAS Name: N-(4-bromo-2-methylphenyl)-N'-(3-methoxypropyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-(4-bromo-2-methylphenyl)-N'-(3-methoxypropyl)carbamimidothioate Traditional Name: 1-(4-bromo-2-methyl-phenyl)-3-(3-methoxypropyl)-2-methyl-isothiourea Formula: C13H19BrN2OS MolecularWeight: 331.27176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=NCCCOC)SC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=NCCCOC)SC

InChI

InChI=1S/C13H19BrN2OS/c1-10-9-11(14)5-6-12(10)16-13(18-3)15-7-4-8-17-2/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)