2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-cyclopentylpyrazol-3-yl)pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-cyclopentylpyrazol-3-yl)pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(2-cyclopentylpyrazol-3-yl)pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-(2-cyclopentyl-3-pyrazolyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(2-cyclopentylpyrazol-3-yl)pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(2-cyclopentylpyrazol-3-yl)nicotinamide Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)C3=C(N=CC=C3)SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H23N5O4S/c29-21(26-15-7-8-18-19(12-15)32-14-31-18)13-33-23-17(6-3-10-24-23)22(30)27-20-9-11-25-28(20)16-4-1-2-5-16/h3,6-12,16H,1-2,4-5,13-14H2,(H,26,29)(H,27,30)