N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]propanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]propanamide Openeye Name: N-(3-cyano-2-thienyl)-3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]propanamide CAS Name: N-(3-cyano-2-thiophenyl)-3-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]propanamide IUPAC Name: N-(3-cyanothiophen-2-yl)-3-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]propanamide Traditional Name: N-(3-cyano-2-thienyl)-3-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]propionamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC(=O)NC2=C(C=CS2)C#N)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1CCC(=O)NC2=C(C=CS2)C#N)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H22N4O4S/c22-13-15-6-12-30-20(15)23-19(26)5-7-24-8-10-25(11-9-24)21(27)18-14-28-16-3-1-2-4-17(16)29-18/h1-4,6,12,18H,5,7-11,14H2,(H,23,26)