[(4-acetamidopyridin-3-yl)-(6-acetamidopyridin-3-yl)carbonyl-amino]-methyl-carbamodithioic acid

Systemtic Name: [(4-acetamidopyridin-3-yl)-(6-acetamidopyridin-3-yl)carbonyl-amino]-methyl-carbamodithioic acid Openeye Name: [(6-acetamidopyridine-3-carbonyl)-(4-acetamido-3-pyridyl)amino]-methyl-carbamodithioic acid CAS Name: [(4-acetamido-3-pyridinyl)-[(6-acetamido-3-pyridinyl)-oxomethyl]amino]-methylcarbamodithioic acid IUPAC Name: [(6-acetamidopyridine-3-carbonyl)-(4-acetamidopyridin-3-yl)amino]-methylcarbamodithioic acid Traditional Name: [(6-acetamidonicotinoyl)-(4-acetamido-3-pyridyl)amino]-methyl-carbamodithioic acid Formula: C17H18N6O3S2 MolecularWeight: 418.49322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=NC=C1)N(C(=O)C2=CN=C(C=C2)NC(=O)C)N(C)C(=S)S

Isomeric SMILES

CC(=O)NC1=C(C=NC=C1)N(C(=O)C2=CN=C(C=C2)NC(=O)C)N(C)C(=S)S

InChI

InChI=1S/C17H18N6O3S2/c1-10(24)20-13-6-7-18-9-14(13)23(22(3)17(27)28)16(26)12-4-5-15(19-8-12)21-11(2)25/h4-9H,1-3H3,(H,27,28)(H,18,20,24)(H,19,21,25)