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

Systemtic Name: (4-nitrophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Openeye Name: 3-[(1S)-1-methylpropyl]-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-[(2S)-butan-2-yl]carbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-[(2S)-butan-2-yl]carbamimidothioate Traditional Name: 3-[(1S)-1-methylpropyl]-2-(4-nitrobenzyl)isothiourea Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N=C(N)SCC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S/c1-3-9(2)14-12(13)18-8-10-4-6-11(7-5-10)15(16)17/h4-7,9H,3,8H2,1-2H3,(H2,13,14)/t9-/m0/s1