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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)CC(=O)NC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)CC(=O)NC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H22N4O3S/c26-20(22-15-5-6-17-18(11-15)28-14-27-17)12-24-7-9-25(10-8-24)13-21-23-16-3-1-2-4-19(16)29-21/h1-6,11H,7-10,12-14H2,(H,22,26)