(4-nitrophenyl)methyl N'-(2-methylpropyl)carbamimidothioate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O2S/c1-9(2)7-14-12(13)18-8-10-3-5-11(6-4-10)15(16)17/h3-6,9H,7-8H2,1-2H3,(H2,13,14)