2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]pyridine-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-[2-(2-methoxy-5-methylphenyl)ethyl]pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-[2-(2-methoxy-5-methyl-phenyl)ethyl]nicotinamide Formula: C25H25N3O5S MolecularWeight: 479.5481

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CCNC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CCNC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H25N3O5S/c1-16-5-7-20(31-2)17(12-16)9-11-26-24(30)19-4-3-10-27-25(19)34-14-23(29)28-18-6-8-21-22(13-18)33-15-32-21/h3-8,10,12-13H,9,11,14-15H2,1-2H3,(H,26,30)(H,28,29)