2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-3-ylmethyl)benzamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-3-ylmethyl)benzamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(3-pyridylmethyl)benzamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-(3-pyridinylmethyl)benzamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(pyridin-3-ylmethyl)benzamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(3-pyridylmethyl)benzamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=CC=C3C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C22H19N3O4S/c26-21(25-16-7-8-18-19(10-16)29-14-28-18)13-30-20-6-2-1-5-17(20)22(27)24-12-15-4-3-9-23-11-15/h1-11H,12-14H2,(H,24,27)(H,25,26)