2-methylpropyl N'-(3-methylphenyl)carbamimidothioate

Systemtic Name: 2-methylpropyl N'-(3-methylphenyl)carbamimidothioate Openeye Name: 2-isobutyl-3-(m-tolyl)isothiourea CAS Name: N'-(3-methylphenyl)carbamimidothioic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl N'-(3-methylphenyl)carbamimidothioate Traditional Name: 2-isobutyl-3-(m-tolyl)isothiourea Formula: C12H18N2S MolecularWeight: 222.34972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N=C(N)SCC(C)C

Isomeric SMILES

CC1=CC(=CC=C1)N=C(N)SCC(C)C

InChI

InChI=1S/C12H18N2S/c1-9(2)8-15-12(13)14-11-6-4-5-10(3)7-11/h4-7,9H,8H2,1-3H3,(H2,13,14)