(4-cyanophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-[(1S)-1-methylpropyl]isothiourea Formula: C13H17N3S MolecularWeight: 247.35918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3S/c1-3-10(2)16-13(15)17-9-12-6-4-11(8-14)5-7-12/h4-7,10H,3,9H2,1-2H3,(H2,15,16)/t10-/m0/s1