N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-chloranyl-1-benzothiophene-2-carboxamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-3-chloranyl-1-benzothiophene-2-carboxamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-3-chloro-benzothiophene-2-carboxamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxoethyl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-keto-2-(4-piperonylpiperazino)ethyl]benzothiophene-2-carboxamide Formula: C23H22ClN3O4S MolecularWeight: 471.95648

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CNC(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C23H22ClN3O4S/c24-21-16-3-1-2-4-19(16)32-22(21)23(29)25-12-20(28)27-9-7-26(8-10-27)13-15-5-6-17-18(11-15)31-14-30-17/h1-6,11H,7-10,12-14H2,(H,25,29)