[4-(carbamimidoylsulfanylmethyl)-2,5-diphenyl-furan-3-yl]methyl carbamimidothioate

Systemtic Name: [4-(carbamimidoylsulfanylmethyl)-2,5-diphenyl-furan-3-yl]methyl carbamimidothioate Openeye Name: 2-[[4-(carbamimidoylsulfanylmethyl)-2,5-diphenyl-3-furyl]methyl]isothiourea CAS Name: carbamimidothioic acid [4-[(carbamimidoylthio)methyl]-2,5-diphenyl-3-furanyl]methyl ester IUPAC Name: [4-(carbamimidoylsulfanylmethyl)-2,5-diphenylfuran-3-yl]methyl carbamimidothioate Traditional Name: 2-[[4-[(amidinothio)methyl]-2,5-diphenyl-3-furyl]methyl]isothiourea Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C(O2)C3=CC=CC=C3)CSC(=N)N)CSC(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C(O2)C3=CC=CC=C3)CSC(=N)N)CSC(=N)N

InChI

InChI=1S/C20H20N4OS2/c21-19(22)26-11-15-16(12-27-20(23)24)18(14-9-5-2-6-10-14)25-17(15)13-7-3-1-4-8-13/h1-10H,11-12H2,(H3,21,22)(H3,23,24)