2-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[4-(2,5-dimethoxybenzyl)piperazino]propanoylamino]thiophene-3-carboxamide Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)CCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)CCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C21H28N4O4S/c1-28-16-3-4-18(29-2)15(13-16)14-25-10-8-24(9-11-25)7-5-19(26)23-21-17(20(22)27)6-12-30-21/h3-4,6,12-13H,5,7-11,14H2,1-2H3,(H2,22,27)(H,23,26)