N-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide

Systemtic Name: N-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-ethyl-amino]-4-oxidanylidene-butyl]thiophene-2-carboxamide Openeye Name: N-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-ethyl-amino]-4-oxo-butyl]thiophene-2-carboxamide CAS Name: N-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylamino]-4-oxobutyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-ethylamino]-4-oxobutyl]thiophene-2-carboxamide Traditional Name: N-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-ethyl-amino]-4-keto-butyl]thiophene-2-carboxamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CCCNC(=O)C3=CC=CS3

Isomeric SMILES

CCN(CC(=O)NC1=CC2=C(C=C1)OCCO2)C(=O)CCCNC(=O)C3=CC=CS3

InChI

InChI=1S/C21H25N3O5S/c1-2-24(20(26)6-3-9-22-21(27)18-5-4-12-30-18)14-19(25)23-15-7-8-16-17(13-15)29-11-10-28-16/h4-5,7-8,12-13H,2-3,6,9-11,14H2,1H3,(H,22,27)(H,23,25)