methyl N'-[3-(dimethylamino)-2-methyl-phenyl]carbamimidothioate

Systemtic Name: methyl N'-[3-(dimethylamino)-2-methyl-phenyl]carbamimidothioate Openeye Name: 3-[3-(dimethylamino)-2-methyl-phenyl]-2-methyl-isothiourea CAS Name: N'-[3-(dimethylamino)-2-methylphenyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3-(dimethylamino)-2-methylphenyl]carbamimidothioate Traditional Name: 3-[3-(dimethylamino)-2-methyl-phenyl]-2-methyl-isothiourea Formula: C11H17N3S MolecularWeight: 223.33778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1N(C)C)N=C(N)SC

Isomeric SMILES

CC1=C(C=CC=C1N(C)C)N=C(N)SC

InChI

InChI=1S/C11H17N3S/c1-8-9(13-11(12)15-4)6-5-7-10(8)14(2)3/h5-7H,1-4H3,(H2,12,13)