4-carbamimidoylsulfanylbutyl benzoate hydrochloride

Systemtic Name: 4-carbamimidoylsulfanylbutyl benzoate hydrochloride Openeye Name: 4-carbamimidoylsulfanylbutyl benzoate hydrochloride CAS Name: benzoic acid 4-(carbamimidoylthio)butyl ester hydrochloride IUPAC Name: 4-carbamimidoylsulfanylbutyl benzoate hydrochloride Traditional Name: benzoic acid 4-(amidinothio)butyl ester hydrochloride Formula: C12H17ClN2O2S MolecularWeight: 288.79358

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OCCCCSC(=N)N.Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OCCCCSC(=N)N.Cl

InChI

InChI=1S/C12H16N2O2S.ClH/c13-12(14)17-9-5-4-8-16-11(15)10-6-2-1-3-7-10;/h1-3,6-7H,4-5,8-9H2,(H3,13,14);1H