S-sulfanyl 3-[[[3-[azanyl(pyridin-2-yl)amino]-3-oxidanylidene-propanoyl]amino]-pyridin-2-yl-amino]-3-oxidanylidene-propanethioate

Systemtic Name: S-sulfanyl 3-[[[3-[azanyl(pyridin-2-yl)amino]-3-oxidanylidene-propanoyl]amino]-pyridin-2-yl-amino]-3-oxidanylidene-propanethioate Openeye Name: S-sulfanyl 3-[[[3-[amino(2-pyridyl)amino]-3-oxo-propanoyl]amino]-(2-pyridyl)amino]-3-oxo-propanethioate CAS Name: 3-[[[3-[amino(2-pyridinyl)amino]-1,3-dioxopropyl]amino]-(2-pyridinyl)amino]-3-oxopropanethioic acid S-mercapto ester IUPAC Name: S-sulfanyl 3-[[[3-[amino(pyridin-2-yl)amino]-3-oxopropanoyl]amino]-pyridin-2-ylamino]-3-oxopropanethioate Traditional Name: 3-[[[3-[amino(2-pyridyl)amino]-3-keto-propanoyl]amino]-(2-pyridyl)amino]-3-keto-propanethioic acid S-mercapto ester Formula: C16H16N6O4S2 MolecularWeight: 420.46604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)N(C(=O)CC(=O)NN(C2=CC=CC=N2)C(=O)CC(=O)SS)N

Isomeric SMILES

C1=CC=NC(=C1)N(C(=O)CC(=O)NN(C2=CC=CC=N2)C(=O)CC(=O)SS)N

InChI

InChI=1S/C16H16N6O4S2/c17-21(11-5-1-3-7-18-11)14(24)9-13(23)20-22(12-6-2-4-8-19-12)15(25)10-16(26)28-27/h1-8,27H,9-10,17H2,(H,20,23)