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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3SCC(=O)NC4=CC5=C(C=C4)OCO5

InChI

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