methyl N-cyano-N'-(3-methylbutyl)carbamimidothioate

Systemtic Name: methyl N-cyano-N'-(3-methylbutyl)carbamimidothioate Openeye Name: 1-cyano-3-isopentyl-2-methyl-isothiourea CAS Name: N-cyano-N'-(3-methylbutyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-cyano-N'-(3-methylbutyl)carbamimidothioate Traditional Name: 1-cyano-3-isoamyl-2-methyl-isothiourea Formula: C8H15N3S MolecularWeight: 185.2898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=C(NC#N)SC

Isomeric SMILES

CC(C)CCN=C(NC#N)SC

InChI

InChI=1S/C8H15N3S/c1-7(2)4-5-10-8(12-3)11-6-9/h7H,4-5H2,1-3H3,(H,10,11)