[3-[3-(3-carbamimidoylsulfanylphenyl)phenyl]phenyl] carbamimidothioate

Systemtic Name: [3-[3-(3-carbamimidoylsulfanylphenyl)phenyl]phenyl] carbamimidothioate Openeye Name: 2-[3-[3-(3-carbamimidoylsulfanylphenyl)phenyl]phenyl]isothiourea CAS Name: carbamimidothioic acid [3-[3-[3-(carbamimidoylthio)phenyl]phenyl]phenyl] ester IUPAC Name: [3-[3-(3-carbamimidoylsulfanylphenyl)phenyl]phenyl] carbamimidothioate Traditional Name: 2-[3-[3-[3-(amidinothio)phenyl]phenyl]phenyl]isothiourea Formula: C20H18N4S2 MolecularWeight: 378.51372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=CC(=CC=C2)SC(=N)N)C3=CC(=CC=C3)SC(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)C2=CC(=CC=C2)SC(=N)N)C3=CC(=CC=C3)SC(=N)N

InChI

InChI=1S/C20H18N4S2/c21-19(22)25-17-8-2-6-15(11-17)13-4-1-5-14(10-13)16-7-3-9-18(12-16)26-20(23)24/h1-12H,(H3,21,22)(H3,23,24)