[9-(carbamimidoylsulfanylmethyl)dibenzothiophen-1-yl]methyl carbamimidothioate

Systemtic Name: [9-(carbamimidoylsulfanylmethyl)dibenzothiophen-1-yl]methyl carbamimidothioate Openeye Name: 2-[[9-(carbamimidoylsulfanylmethyl)dibenzothiophen-1-yl]methyl]isothiourea CAS Name: carbamimidothioic acid [9-[(carbamimidoylthio)methyl]-1-dibenzothiophenyl]methyl ester IUPAC Name: [9-(carbamimidoylsulfanylmethyl)dibenzothiophen-1-yl]methyl carbamimidothioate Traditional Name: 2-[[9-[(amidinothio)methyl]dibenzothiophen-1-yl]methyl]isothiourea Formula: C16H16N4S3 MolecularWeight: 360.52004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)SC3=CC=CC(=C32)CSC(=N)N)CSC(=N)N

Isomeric SMILES

C1=CC(=C2C(=C1)SC3=CC=CC(=C32)CSC(=N)N)CSC(=N)N

InChI

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