2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)benzamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)benzamide Openeye Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanyl-N-(2-morpholinophenyl)benzamide CAS Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]-N-[2-(4-morpholinyl)phenyl]benzamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-ylphenyl)benzamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]-N-(2-morpholinophenyl)benzamide Formula: C26H25N3O5S MolecularWeight: 491.5588

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=CC=C3SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C2=CC=CC=C2NC(=O)C3=CC=CC=C3SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H25N3O5S/c30-25(27-18-9-10-22-23(15-18)34-17-33-22)16-35-24-8-4-1-5-19(24)26(31)28-20-6-2-3-7-21(20)29-11-13-32-14-12-29/h1-10,15H,11-14,16-17H2,(H,27,30)(H,28,31)