S-[3-azanyl-3-oxidanylidene-2-[(2,3,4,5-tetraaminocarbonylphenyl)methyl]propyl] 2-azanyl-2-oxidanylidene-ethanethioate

Systemtic Name: S-[3-azanyl-3-oxidanylidene-2-[(2,3,4,5-tetraaminocarbonylphenyl)methyl]propyl] 2-azanyl-2-oxidanylidene-ethanethioate Openeye Name: S-[3-amino-3-oxo-2-[(2,3,4,5-tetracarbamoylphenyl)methyl]propyl] 2-amino-2-oxo-ethanethioate CAS Name: 2-amino-2-oxoethanethioic acid S-[3-amino-3-oxo-2-[(2,3,4,5-tetracarbamoylphenyl)methyl]propyl] ester IUPAC Name: S-[3-amino-3-oxo-2-[(2,3,4,5-tetracarbamoylphenyl)methyl]propyl] 2-amino-2-oxoethanethioate Traditional Name: 2-amino-2-keto-ethanethioic acid S-[3-amino-3-keto-2-(2,3,4,5-tetracarbamoylbenzyl)propyl] ester Formula: C16H18N6O7S MolecularWeight: 438.41512

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1CC(CSC(=O)C(=O)N)C(=O)N)C(=O)N)C(=O)N)C(=O)N)C(=O)N

Isomeric SMILES

C1=C(C(=C(C(=C1CC(CSC(=O)C(=O)N)C(=O)N)C(=O)N)C(=O)N)C(=O)N)C(=O)N

InChI

InChI=1S/C16H18N6O7S/c17-10(23)5(3-30-16(29)15(22)28)1-4-2-6(11(18)24)8(13(20)26)9(14(21)27)7(4)12(19)25/h2,5H,1,3H2,(H2,17,23)(H2,18,24)(H2,19,25)(H2,20,26)(H2,21,27)(H2,22,28)