[3,7-bis(bromanyl)-6-(carbamimidoylsulfanylmethyl)dibenzothiophen-4-yl]methyl carbamimidothioate

Systemtic Name: [3,7-bis(bromanyl)-6-(carbamimidoylsulfanylmethyl)dibenzothiophen-4-yl]methyl carbamimidothioate Openeye Name: 2-[[3,7-dibromo-6-(carbamimidoylsulfanylmethyl)dibenzothiophen-4-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [3,7-dibromo-6-[(carbamimidoylthio)methyl]-4-dibenzothiophenyl]methyl ester IUPAC Name: [3,7-dibromo-6-(carbamimidoylsulfanylmethyl)dibenzothiophen-4-yl]methyl carbamimidothioate Traditional Name: 2-[[6-[(amidinothio)methyl]-3,7-dibromo-dibenzothiophen-4-yl]methyl]isothiourea Formula: C16H14Br2N4S3 MolecularWeight: 518.31216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=C1C3=C(S2)C(=C(C=C3)Br)CSC(=N)N)CSC(=N)N)Br

Isomeric SMILES

C1=CC(=C(C2=C1C3=C(S2)C(=C(C=C3)Br)CSC(=N)N)CSC(=N)N)Br

InChI

InChI=1S/C16H14Br2N4S3/c17-11-3-1-7-8-2-4-12(18)10(6-24-16(21)22)14(8)25-13(7)9(11)5-23-15(19)20/h1-4H,5-6H2,(H3,19,20)(H3,21,22)