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

Systemtic Name: N-(3-acetamido-2-methyl-phenyl)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-(3-acetamido-2-methyl-phenyl)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-(3-acetamido-2-methylphenyl)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-3-pyridinecarboxamide IUPAC Name: N-(3-acetamido-2-methylphenyl)-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxamide Traditional Name: N-(3-acetamido-2-methyl-phenyl)-2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]nicotinamide Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C)NC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C)NC(=O)C2=C(N=CC=C2)SCC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H22N4O5S/c1-14-18(26-15(2)29)6-3-7-19(14)28-23(31)17-5-4-10-25-24(17)34-12-22(30)27-16-8-9-20-21(11-16)33-13-32-20/h3-11H,12-13H2,1-2H3,(H,26,29)(H,27,30)(H,28,31)