N-[(2S)-1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-1-[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-1-[4-(1,3-benzodioxole-5-carbonyl)piperazine-1-carbonyl]-2-methyl-propyl]thiophene-2-carboxamide CAS Name: N-[(2S)-1-[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]-3-methyl-1-oxobutan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(4-piperonyloylpiperazine-1-carbonyl)propyl]thiophene-2-carboxamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C22H25N3O5S/c1-14(2)19(23-20(26)18-4-3-11-31-18)22(28)25-9-7-24(8-10-25)21(27)15-5-6-16-17(12-15)30-13-29-16/h3-6,11-12,14,19H,7-10,13H2,1-2H3,(H,23,26)/t19-/m0/s1