[2-[2-(carbamimidoylsulfanylmethyl)phenyl]carbonylphenyl]methyl carbamimidothioate

Systemtic Name: [2-[2-(carbamimidoylsulfanylmethyl)phenyl]carbonylphenyl]methyl carbamimidothioate Openeye Name: 2-[[2-[2-(carbamimidoylsulfanylmethyl)benzoyl]phenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [2-[[2-[(carbamimidoylthio)methyl]phenyl]-oxomethyl]phenyl]methyl ester IUPAC Name: [2-[2-(carbamimidoylsulfanylmethyl)benzoyl]phenyl]methyl carbamimidothioate Traditional Name: 2-[2-[2-[(amidinothio)methyl]benzoyl]benzyl]isothiourea Formula: C17H18N4OS2 MolecularWeight: 358.48102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC(=N)N)C(=O)C2=CC=CC=C2CSC(=N)N

Isomeric SMILES

C1=CC=C(C(=C1)CSC(=N)N)C(=O)C2=CC=CC=C2CSC(=N)N

InChI

InChI=1S/C17H18N4OS2/c18-16(19)23-9-11-5-1-3-7-13(11)15(22)14-8-4-2-6-12(14)10-24-17(20)21/h1-8H,9-10H2,(H3,18,19)(H3,20,21)