N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-2-thiophen-2-yl-ethanamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-2-thiophen-2-yl-ethanamide Openeye Name: N-[(1S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(hydroxymethyl)-2-oxo-ethyl]-2-oxo-2-(2-thienyl)acetamide CAS Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-hydroxy-1-oxopropan-2-yl]-2-oxo-2-thiophen-2-ylacetamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-hydroxy-1-oxopropan-2-yl]-2-oxo-2-thiophen-2-ylacetamide Traditional Name: 2-keto-N-[(1S)-2-keto-1-methylol-2-(4-piperonylpiperazino)ethyl]-2-(2-thienyl)acetamide Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C(CO)NC(=O)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)[C@H](CO)NC(=O)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H23N3O6S/c25-12-15(22-20(27)19(26)18-2-1-9-31-18)21(28)24-7-5-23(6-8-24)11-14-3-4-16-17(10-14)30-13-29-16/h1-4,9-10,15,25H,5-8,11-13H2,(H,22,27)/t15-/m0/s1