N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylcarbothioylindol-1-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-morpholin-4-ylcarbothioylindol-1-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[3-(morpholine-4-carbothioyl)indol-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[3-[4-morpholinyl(sulfanylidene)methyl]-1-indolyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[3-(morpholine-4-carbothioyl)indol-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[3-(morpholine-4-carbothioyl)indol-1-yl]acetamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=S)C2=CN(C3=CC=CC=C32)CC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1COCCN1C(=S)C2=CN(C3=CC=CC=C32)CC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N3O4S/c26-21(23-15-5-6-19-20(11-15)29-14-28-19)13-25-12-17(16-3-1-2-4-18(16)25)22(30)24-7-9-27-10-8-24/h1-6,11-12H,7-10,13-14H2,(H,23,26)