methyl N'-butyl-N-phenyl-carbamimidothioate

Systemtic Name: methyl N'-butyl-N-phenyl-carbamimidothioate Openeye Name: 3-butyl-2-methyl-1-phenyl-isothiourea CAS Name: N'-butyl-N-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-butyl-N-phenylcarbamimidothioate Traditional Name: 3-butyl-2-methyl-1-phenyl-isothiourea Formula: C12H18N2S MolecularWeight: 222.34972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NC1=CC=CC=C1)SC

Isomeric SMILES

CCCCN=C(NC1=CC=CC=C1)SC

InChI

InChI=1S/C12H18N2S/c1-3-4-10-13-12(15-2)14-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3,(H,13,14)