[4-[4-(carbamimidoylsulfanylmethyl)phenyl]sulfonylphenyl]methyl carbamimidothioate

Systemtic Name: [4-[4-(carbamimidoylsulfanylmethyl)phenyl]sulfonylphenyl]methyl carbamimidothioate Openeye Name: 2-[[4-[4-(carbamimidoylsulfanylmethyl)phenyl]sulfonylphenyl]methyl]isothiourea CAS Name: carbamimidothioic acid [4-[4-[(carbamimidoylthio)methyl]phenyl]sulfonylphenyl]methyl ester IUPAC Name: [4-[4-(carbamimidoylsulfanylmethyl)phenyl]sulfonylphenyl]methyl carbamimidothioate Traditional Name: 2-[4-[4-[(amidinothio)methyl]phenyl]sulfonylbenzyl]isothiourea Formula: C16H18N4O2S3 MolecularWeight: 394.53472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=N)N)S(=O)(=O)C2=CC=C(C=C2)CSC(=N)N

Isomeric SMILES

C1=CC(=CC=C1CSC(=N)N)S(=O)(=O)C2=CC=C(C=C2)CSC(=N)N

InChI

InChI=1S/C16H18N4O2S3/c17-15(18)23-9-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)10-24-16(19)20/h1-8H,9-10H2,(H3,17,18)(H3,19,20)