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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(diphenylmethyl)pyridine-3-carboxamide Openeye Name: N-benzhydryl-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-(diphenylmethyl)-3-pyridinecarboxamide IUPAC Name: N-benzhydryl-2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylpyridine-3-carboxamide Traditional Name: N-benzhydryl-2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]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)NC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=C(C=CC=N3)C(=O)NC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

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