6-[3-azanyl-3-oxidanylidene-2-(sulfanylmethyl)propyl]benzene-1,2,3,4,5-pentacarboxamide

Systemtic Name: 6-[3-azanyl-3-oxidanylidene-2-(sulfanylmethyl)propyl]benzene-1,2,3,4,5-pentacarboxamide Openeye Name: 6-[3-amino-3-oxo-2-(sulfanylmethyl)propyl]benzene-1,2,3,4,5-pentacarboxamide CAS Name: 6-[3-amino-2-(mercaptomethyl)-3-oxopropyl]benzene-1,2,3,4,5-pentacarboxamide IUPAC Name: 6-[3-amino-3-oxo-2-(sulfanylmethyl)propyl]benzene-1,2,3,4,5-pentacarboxamide Traditional Name: 6-[3-amino-3-keto-2-(mercaptomethyl)propyl]benzene-1,2,3,4,5-pentacarboxamide Formula: C15H18N6O6S MolecularWeight: 410.40502

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Descriptors Computed from Structure

Canonical SMILES:

C(C1=C(C(=C(C(=C1C(=O)N)C(=O)N)C(=O)N)C(=O)N)C(=O)N)C(CS)C(=O)N

Isomeric SMILES

C(C1=C(C(=C(C(=C1C(=O)N)C(=O)N)C(=O)N)C(=O)N)C(=O)N)C(CS)C(=O)N

InChI

InChI=1S/C15H18N6O6S/c16-10(22)3(2-28)1-4-5(11(17)23)7(13(19)25)9(15(21)27)8(14(20)26)6(4)12(18)24/h3,28H,1-2H2,(H2,16,22)(H2,17,23)(H2,18,24)(H2,19,25)(H2,20,26)(H2,21,27)