(3-nitro-4-propoxy-phenyl)methyl carbamimidothioate hydrochloride

Systemtic Name: (3-nitro-4-propoxy-phenyl)methyl carbamimidothioate hydrochloride Openeye Name: 2-[(3-nitro-4-propoxy-phenyl)methyl]isothiourea hydrochloride CAS Name: carbamimidothioic acid (3-nitro-4-propoxyphenyl)methyl ester hydrochloride IUPAC Name: (3-nitro-4-propoxyphenyl)methyl carbamimidothioate hydrochloride Traditional Name: 2-(3-nitro-4-propoxy-benzyl)isothiourea hydrochloride Formula: C11H16ClN3O3S MolecularWeight: 305.78104

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CSC(=N)N)[N+](=O)[O-].Cl

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CSC(=N)N)[N+](=O)[O-].Cl

InChI

InChI=1S/C11H15N3O3S.ClH/c1-2-5-17-10-4-3-8(7-18-11(12)13)6-9(10)14(15)16;/h3-4,6H,2,5,7H2,1H3,(H3,12,13);1H