N-(1,3-benzodioxol-5-ylmethyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-4-carboxamide Traditional Name: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-piperonyl-isonipecotamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCC(CC3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O4S/c1-2-28-17-4-5-18-21(12-17)31-23(25-18)26-9-7-16(8-10-26)22(27)24-13-15-3-6-19-20(11-15)30-14-29-19/h3-6,11-12,16H,2,7-10,13-14H2,1H3,(H,24,27)