[4-[4-(N'-phenethylcarbamimidoyl)sulfanylphenoxy]phenyl] N'-phenethylcarbamimidothioate

Systemtic Name: [4-[4-(N'-phenethylcarbamimidoyl)sulfanylphenoxy]phenyl] N'-phenethylcarbamimidothioate Openeye Name: 3-phenethyl-2-[4-[4-(N'-phenethylcarbamimidoyl)sulfanylphenoxy]phenyl]isothiourea CAS Name: N'-phenethylcarbamimidothioic acid [4-[4-[[amino(phenethylimino)methyl]thio]phenoxy]phenyl] ester IUPAC Name: [4-[4-(N'-phenethylcarbamimidoyl)sulfanylphenoxy]phenyl] N'-phenethylcarbamimidothioate Traditional Name: 3-phenethyl-2-[4-[4-[(N'-phenethylamidino)thio]phenoxy]phenyl]isothiourea Formula: C30H30N4OS2 MolecularWeight: 526.7154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN=C(N)SC2=CC=C(C=C2)OC3=CC=C(C=C3)SC(=NCCC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CCN=C(N)SC2=CC=C(C=C2)OC3=CC=C(C=C3)SC(=NCCC4=CC=CC=C4)N

InChI

InChI=1S/C30H30N4OS2/c31-29(33-21-19-23-7-3-1-4-8-23)36-27-15-11-25(12-16-27)35-26-13-17-28(18-14-26)37-30(32)34-22-20-24-9-5-2-6-10-24/h1-18H,19-22H2,(H2,31,33)(H2,32,34)