[2-[2-(carbamimidoylsulfanylmethyl)phenoxy]-4-chloranyl-phenyl]methyl carbamimidothioate

Systemtic Name: [2-[2-(carbamimidoylsulfanylmethyl)phenoxy]-4-chloranyl-phenyl]methyl carbamimidothioate Openeye Name: 2-[[2-[2-(carbamimidoylsulfanylmethyl)-5-chloro-phenoxy]phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [2-[2-[(carbamimidoylthio)methyl]phenoxy]-4-chlorophenyl]methyl ester IUPAC Name: [2-[2-(carbamimidoylsulfanylmethyl)phenoxy]-4-chlorophenyl]methyl carbamimidothioate Traditional Name: 2-[2-[2-[(amidinothio)methyl]-5-chloro-phenoxy]benzyl]isothiourea Formula: C16H17ClN4OS2 MolecularWeight: 380.91538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC(=N)N)OC2=C(C=CC(=C2)Cl)CSC(=N)N

Isomeric SMILES

C1=CC=C(C(=C1)CSC(=N)N)OC2=C(C=CC(=C2)Cl)CSC(=N)N

InChI

InChI=1S/C16H17ClN4OS2/c17-12-6-5-11(9-24-16(20)21)14(7-12)22-13-4-2-1-3-10(13)8-23-15(18)19/h1-7H,8-9H2,(H3,18,19)(H3,20,21)