(3,4-dichlorophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate

Systemtic Name: (3,4-dichlorophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 2-[(3,4-dichlorophenyl)methyl]-3-[(1S)-1-methylpropyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 2-(3,4-dichlorobenzyl)-3-[(1S)-1-methylpropyl]isothiourea Formula: C12H16Cl2N2S MolecularWeight: 291.23984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16Cl2N2S/c1-3-8(2)16-12(15)17-7-9-4-5-10(13)11(14)6-9/h4-6,8H,3,7H2,1-2H3,(H2,15,16)/t8-/m0/s1