[2-[2-(carbamimidoylsulfanylmethyl)phenyl]phenyl]methyl carbamimidothioate

Systemtic Name: [2-[2-(carbamimidoylsulfanylmethyl)phenyl]phenyl]methyl carbamimidothioate Openeye Name: 2-[[2-[2-(carbamimidoylsulfanylmethyl)phenyl]phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [2-[2-[(carbamimidoylthio)methyl]phenyl]phenyl]methyl ester IUPAC Name: [2-[2-(carbamimidoylsulfanylmethyl)phenyl]phenyl]methyl carbamimidothioate Traditional Name: 2-[2-[2-[(amidinothio)methyl]phenyl]benzyl]isothiourea Formula: C16H18N4S2 MolecularWeight: 330.47092

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC(=N)N)C2=CC=CC=C2CSC(=N)N

Isomeric SMILES

C1=CC=C(C(=C1)CSC(=N)N)C2=CC=CC=C2CSC(=N)N

InChI

InChI=1S/C16H18N4S2/c17-15(18)21-9-11-5-1-3-7-13(11)14-8-4-2-6-12(14)10-22-16(19)20/h1-8H,9-10H2,(H3,17,18)(H3,19,20)