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

Systemtic Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-1-thiophen-2-yl-propyl]ethanamide Openeye Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-1-(2-thienyl)propyl]acetamide CAS Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxo-1-thiophen-2-ylpropyl]acetamide IUPAC Name: N-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-1-thiophen-2-ylpropyl]acetamide Traditional Name: N-[3-keto-3-(4-piperonylpiperazino)-1-(2-thienyl)propyl]acetamide Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=CS4

Isomeric SMILES

CC(=O)NC(CC(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)C4=CC=CS4

InChI

InChI=1S/C21H25N3O4S/c1-15(25)22-17(20-3-2-10-29-20)12-21(26)24-8-6-23(7-9-24)13-16-4-5-18-19(11-16)28-14-27-18/h2-5,10-11,17H,6-9,12-14H2,1H3,(H,22,25)