[4-[4-(N'-phenylcarbamimidoyl)sulfanylphenoxy]phenyl] N'-phenylcarbamimidothioate

Systemtic Name: [4-[4-(N'-phenylcarbamimidoyl)sulfanylphenoxy]phenyl] N'-phenylcarbamimidothioate Openeye Name: 3-phenyl-2-[4-[4-(N'-phenylcarbamimidoyl)sulfanylphenoxy]phenyl]isothiourea CAS Name: N'-phenylcarbamimidothioic acid [4-[4-[[amino(phenylimino)methyl]thio]phenoxy]phenyl] ester IUPAC Name: [4-[4-(N'-phenylcarbamimidoyl)sulfanylphenoxy]phenyl] N'-phenylcarbamimidothioate Traditional Name: 3-phenyl-2-[4-[4-[(N'-phenylamidino)thio]phenoxy]phenyl]isothiourea Formula: C26H22N4OS2 MolecularWeight: 470.60908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(N)SC2=CC=C(C=C2)OC3=CC=C(C=C3)SC(=NC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)N=C(N)SC2=CC=C(C=C2)OC3=CC=C(C=C3)SC(=NC4=CC=CC=C4)N

InChI

InChI=1S/C26H22N4OS2/c27-25(29-19-7-3-1-4-8-19)32-23-15-11-21(12-16-23)31-22-13-17-24(18-14-22)33-26(28)30-20-9-5-2-6-10-20/h1-18H,(H2,27,29)(H2,28,30)