[4-[4-(carbamimidoylsulfanylmethyl)phenoxy]phenyl]methyl carbamimidothioate chloride

Systemtic Name: [4-[4-(carbamimidoylsulfanylmethyl)phenoxy]phenyl]methyl carbamimidothioate chloride Openeye Name: 2-[[4-[4-(carbamimidoylsulfanylmethyl)phenoxy]phenyl]methyl]isothiourea chloride CAS Name: carbamimidothioic acid [4-[4-[(carbamimidoylthio)methyl]phenoxy]phenyl]methyl ester chloride IUPAC Name: [4-[4-(carbamimidoylsulfanylmethyl)phenoxy]phenyl]methyl carbamimidothioate chloride Traditional Name: 2-[4-[4-[(amidinothio)methyl]phenoxy]benzyl]isothiourea chloride Formula: C16H18ClN4OS2- MolecularWeight: 381.92332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=N)N)OC2=CC=C(C=C2)CSC(=N)N.[Cl-]

Isomeric SMILES

C1=CC(=CC=C1CSC(=N)N)OC2=CC=C(C=C2)CSC(=N)N.[Cl-]

InChI

InChI=1S/C16H18N4OS2.ClH/c17-15(18)22-9-11-1-5-13(6-2-11)21-14-7-3-12(4-8-14)10-23-16(19)20;/h1-8H,9-10H2,(H3,17,18)(H3,19,20);1H/p-1