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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-[2-(phenylmethyl)phenyl]pyridine-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(2-benzylphenyl)pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[2-(phenylmethyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(2-benzylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(2-benzylphenyl)nicotinamide Formula: C28H23N3O4S MolecularWeight: 497.56492

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NC4=CC=CC=C4CC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NC4=CC=CC=C4CC5=CC=CC=C5

InChI

InChI=1S/C28H23N3O4S/c32-26(30-21-12-13-24-25(16-21)35-18-34-24)17-36-28-22(10-6-14-29-28)27(33)31-23-11-5-4-9-20(23)15-19-7-2-1-3-8-19/h1-14,16H,15,17-18H2,(H,30,32)(H,31,33)