(2,5-dimethylphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: (2,5-dimethylphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(2,5-dimethylphenyl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-(2,5-dimethylbenzyl)-3-[(1S)-1-methylpropyl]isothiourea Formula: C14H22N2S MolecularWeight: 250.40288

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C(N)SCC1=C(C=CC(=C1)C)C

Isomeric SMILES

CC[C@H](C)N=C(N)SCC1=C(C=CC(=C1)C)C

InChI

InChI=1S/C14H22N2S/c1-5-12(4)16-14(15)17-9-13-8-10(2)6-7-11(13)3/h6-8,12H,5,9H2,1-4H3,(H2,15,16)/t12-/m0/s1