2-azanyl-6-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-phenyl-pyridine-3-carboxamide

Systemtic Name: 2-azanyl-6-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-5-cyano-N-phenyl-pyridine-3-carboxamide Openeye Name: 2-amino-6-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxo-ethyl]sulfanyl-5-cyano-N-phenyl-pyridine-3-carboxamide CAS Name: 2-amino-6-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]thio]-5-cyano-N-phenyl-3-pyridinecarboxamide IUPAC Name: 2-amino-6-[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]sulfanyl-5-cyano-N-phenylpyridine-3-carboxamide Traditional Name: 2-amino-6-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-keto-ethyl]thio]-5-cyano-N-phenyl-nicotinamide Formula: C23H18N6O2S2 MolecularWeight: 474.55802

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C2=C(N=C(C(=C2)C#N)SCC(=O)NCC3=NC4=CC=CC=C4S3)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C2=C(N=C(C(=C2)C#N)SCC(=O)NCC3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C23H18N6O2S2/c24-11-14-10-16(22(31)27-15-6-2-1-3-7-15)21(25)29-23(14)32-13-19(30)26-12-20-28-17-8-4-5-9-18(17)33-20/h1-10H,12-13H2,(H2,25,29)(H,26,30)(H,27,31)