4-carbamimidoylsulfanylbutyl benzoate

Systemtic Name: 4-carbamimidoylsulfanylbutyl benzoate Openeye Name: 4-carbamimidoylsulfanylbutyl benzoate CAS Name: benzoic acid 4-(carbamimidoylthio)butyl ester IUPAC Name: 4-carbamimidoylsulfanylbutyl benzoate Traditional Name: benzoic acid 4-(amidinothio)butyl ester Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O2S/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)