[5-(carbamimidoylsulfanylmethyl)phenanthren-4-yl]methyl carbamimidothioate hydrobromide

Systemtic Name: [5-(carbamimidoylsulfanylmethyl)phenanthren-4-yl]methyl carbamimidothioate hydrobromide Openeye Name: 2-[[5-(carbamimidoylsulfanylmethyl)-4-phenanthryl]methyl]isothiourea hydrobromide CAS Name: carbamimidothioic acid [5-[(carbamimidoylthio)methyl]-4-phenanthrenyl]methyl ester hydrobromide IUPAC Name: [5-(carbamimidoylsulfanylmethyl)phenanthren-4-yl]methyl carbamimidothioate hydrobromide Traditional Name: 2-[[5-[(amidinothio)methyl]-4-phenanthryl]methyl]isothiourea hydrobromide Formula: C18H19BrN4S2 MolecularWeight: 435.40426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)CSC(=N)N)C3=C(C=CC=C3CSC(=N)N)C=C2.Br

Isomeric SMILES

C1=CC2=C(C(=C1)CSC(=N)N)C3=C(C=CC=C3CSC(=N)N)C=C2.Br

InChI

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