N-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide

Systemtic Name: N-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]-4-oxidanylidene-butyl]thiophene-3-carboxamide Openeye Name: N-[4-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-4-oxo-butyl]thiophene-3-carboxamide CAS Name: N-[4-[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-4-oxobutyl]-3-thiophenecarboxamide IUPAC Name: N-[4-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazin-1-yl]-4-oxobutyl]thiophene-3-carboxamide Traditional Name: N-[4-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazino]-4-keto-butyl]thiophene-3-carboxamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCNC(=O)C2=CSC=C2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C(=O)CCCNC(=O)C2=CSC=C2)C(=O)C3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O5S/c26-20(6-3-8-23-21(27)16-7-13-31-15-16)24-9-11-25(12-10-24)22(28)19-14-29-17-4-1-2-5-18(17)30-19/h1-2,4-5,7,13,15,19H,3,6,8-12,14H2,(H,23,27)