(3-butan-2-ylphenyl)methyl carbamimidothioate

Systemtic Name: (3-butan-2-ylphenyl)methyl carbamimidothioate Openeye Name: 2-[(3-sec-butylphenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (3-butan-2-ylphenyl)methyl ester IUPAC Name: (3-butan-2-ylphenyl)methyl carbamimidothioate Traditional Name: 2-(3-sec-butylbenzyl)isothiourea Formula: C12H18N2S MolecularWeight: 222.34972

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC(=C1)CSC(=N)N

Isomeric SMILES

CCC(C)C1=CC=CC(=C1)CSC(=N)N

InChI

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