[10-(carbamimidoylsulfanylmethyl)anthracen-9-yl]methyl carbamimidothioate chloride

Systemtic Name: [10-(carbamimidoylsulfanylmethyl)anthracen-9-yl]methyl carbamimidothioate chloride Openeye Name: 2-[[10-(carbamimidoylsulfanylmethyl)-9-anthryl]methyl]isothiourea chloride CAS Name: carbamimidothioic acid [10-[(carbamimidoylthio)methyl]-9-anthracenyl]methyl ester chloride IUPAC Name: [10-(carbamimidoylsulfanylmethyl)anthracen-9-yl]methyl carbamimidothioate chloride Traditional Name: 2-[[10-[(amidinothio)methyl]-9-anthryl]methyl]isothiourea chloride Formula: C18H18ClN4S2- MolecularWeight: 389.94532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CSC(=N)N)CSC(=N)N.[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2CSC(=N)N)CSC(=N)N.[Cl-]

InChI

InChI=1S/C18H18N4S2.ClH/c19-17(20)23-9-15-11-5-1-2-6-12(11)16(10-24-18(21)22)14-8-4-3-7-13(14)15;/h1-8H,9-10H2,(H3,19,20)(H3,21,22);1H/p-1