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(4-butoxy-3-nitro-phenyl)methyl carbamimidothioate

(4-butoxy-3-nitro-phenyl)methyl carbamimidothioate

Systemtic Name:(4-butoxy-3-nitro-phenyl)methyl carbamimidothioate
Openeye Name:2-[(4-butoxy-3-nitro-phenyl)methyl]isothiourea
CAS Name:carbamimidothioic acid (4-butoxy-3-nitrophenyl)methyl ester
IUPAC Name:(4-butoxy-3-nitrophenyl)methyl carbamimidothioate
Traditional Name:2-(4-butoxy-3-nitro-benzyl)isothiourea
Formula: C12H17N3O3S
MolecularWeight: 283.34668
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)CSC(=N)N)[N+](=O)[O-]


Isomeric SMILES

CCCCOC1=C(C=C(C=C1)CSC(=N)N)[N+](=O)[O-]


InChI

InChI=1S/C12H17N3O3S/c1-2-3-6-18-11-5-4-9(8-19-12(13)14)7-10(11)15(16)17/h4-5,7H,2-3,6,8H2,1H3,(H3,13,14)


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