diethyl 4,6-bis(carbamimidoylsulfanylmethyl)benzene-1,3-dicarboxylate

Systemtic Name: diethyl 4,6-bis(carbamimidoylsulfanylmethyl)benzene-1,3-dicarboxylate Openeye Name: diethyl 4,6-bis(carbamimidoylsulfanylmethyl)benzene-1,3-dicarboxylate CAS Name: 4,6-bis[(carbamimidoylthio)methyl]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 4,6-bis(carbamimidoylsulfanylmethyl)benzene-1,3-dicarboxylate Traditional Name: 4,6-bis[(amidinothio)methyl]benzene-1,3-dicarboxylic acid diethyl ester Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1CSC(=N)N)CSC(=N)N)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1CSC(=N)N)CSC(=N)N)C(=O)OCC

InChI

InChI=1S/C16H22N4O4S2/c1-3-23-13(21)11-6-12(14(22)24-4-2)10(8-26-16(19)20)5-9(11)7-25-15(17)18/h5-6H,3-4,7-8H2,1-2H3,(H3,17,18)(H3,19,20)