S-(1H-benzimidazol-2-yl) 2-[2,5-bis(azanyl)pentanoylamino]-3-sulfanyl-propanethioate

Systemtic Name: S-(1H-benzimidazol-2-yl) 2-[2,5-bis(azanyl)pentanoylamino]-3-sulfanyl-propanethioate Openeye Name: S-(1H-benzimidazol-2-yl) 2-(2,5-diaminopentanoylamino)-3-sulfanyl-propanethioate CAS Name: 2-[(2,5-diamino-1-oxopentyl)amino]-3-mercaptopropanethioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) 2-(2,5-diaminopentanoylamino)-3-sulfanylpropanethioate Traditional Name: 2-(2,5-diaminopentanoylamino)-3-mercapto-propanethioic acid S-(1H-benzimidazol-2-yl) ester Formula: C15H21N5O2S2 MolecularWeight: 367.48954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(=O)C(CS)NC(=O)C(CCCN)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(=O)C(CS)NC(=O)C(CCCN)N

InChI

InChI=1S/C15H21N5O2S2/c16-7-3-4-9(17)13(21)18-12(8-23)14(22)24-15-19-10-5-1-2-6-11(10)20-15/h1-2,5-6,9,12,23H,3-4,7-8,16-17H2,(H,18,21)(H,19,20)