[5-(carbamimidoylsulfanylmethyl)naphthalen-1-yl]methyl carbamimidothioate

Systemtic Name: [5-(carbamimidoylsulfanylmethyl)naphthalen-1-yl]methyl carbamimidothioate Openeye Name: 2-[[5-(carbamimidoylsulfanylmethyl)-1-naphthyl]methyl]isothiourea CAS Name: carbamimidothioic acid [5-[(carbamimidoylthio)methyl]-1-naphthalenyl]methyl ester IUPAC Name: [5-(carbamimidoylsulfanylmethyl)naphthalen-1-yl]methyl carbamimidothioate Traditional Name: 2-[[5-[(amidinothio)methyl]-1-naphthyl]methyl]isothiourea Formula: C14H16N4S2 MolecularWeight: 304.43364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2CSC(=N)N)C(=C1)CSC(=N)N

Isomeric SMILES

C1=CC2=C(C=CC=C2CSC(=N)N)C(=C1)CSC(=N)N

InChI

InChI=1S/C14H16N4S2/c15-13(16)19-7-9-3-1-5-11-10(8-20-14(17)18)4-2-6-12(9)11/h1-6H,7-8H2,(H3,15,16)(H3,17,18)