[8-(carbamimidoylsulfanylmethyl)dibenzothiophen-2-yl]methyl carbamimidothioate

Systemtic Name: [8-(carbamimidoylsulfanylmethyl)dibenzothiophen-2-yl]methyl carbamimidothioate Openeye Name: 2-[[8-(carbamimidoylsulfanylmethyl)dibenzothiophen-2-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [8-[(carbamimidoylthio)methyl]-2-dibenzothiophenyl]methyl ester IUPAC Name: [8-(carbamimidoylsulfanylmethyl)dibenzothiophen-2-yl]methyl carbamimidothioate Traditional Name: 2-[[8-[(amidinothio)methyl]dibenzothiophen-2-yl]methyl]isothiourea Formula: C16H16N4S3 MolecularWeight: 360.52004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1CSC(=N)N)C3=C(S2)C=CC(=C3)CSC(=N)N

Isomeric SMILES

C1=CC2=C(C=C1CSC(=N)N)C3=C(S2)C=CC(=C3)CSC(=N)N

InChI

InChI=1S/C16H16N4S3/c17-15(18)21-7-9-1-3-13-11(5-9)12-6-10(8-22-16(19)20)2-4-14(12)23-13/h1-6H,7-8H2,(H3,17,18)(H3,19,20)