[2-[3-[2-(carbamimidoylsulfanylmethyl)phenyl]phenyl]phenyl]methyl carbamimidothioate

Systemtic Name: [2-[3-[2-(carbamimidoylsulfanylmethyl)phenyl]phenyl]phenyl]methyl carbamimidothioate Openeye Name: 2-[[2-[3-[2-(carbamimidoylsulfanylmethyl)phenyl]phenyl]phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [2-[3-[2-[(carbamimidoylthio)methyl]phenyl]phenyl]phenyl]methyl ester IUPAC Name: [2-[3-[2-(carbamimidoylsulfanylmethyl)phenyl]phenyl]phenyl]methyl carbamimidothioate Traditional Name: 2-[2-[3-[2-[(amidinothio)methyl]phenyl]phenyl]benzyl]isothiourea Formula: C22H22N4S2 MolecularWeight: 406.56688

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC(=N)N)C2=CC(=CC=C2)C3=CC=CC=C3CSC(=N)N

Isomeric SMILES

C1=CC=C(C(=C1)CSC(=N)N)C2=CC(=CC=C2)C3=CC=CC=C3CSC(=N)N

InChI

InChI=1S/C22H22N4S2/c23-21(24)27-13-17-6-1-3-10-19(17)15-8-5-9-16(12-15)20-11-4-2-7-18(20)14-28-22(25)26/h1-12H,13-14H2,(H3,23,24)(H3,25,26)