N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-1-piperidyl)-1,3-benzothiazole-6-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-1-piperidinyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(4-methylpiperidino)-N-piperonyl-1,3-benzothiazole-6-carboxamide Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1CCN(CC1)C2=NC3=C(S2)C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O3S/c1-14-6-8-25(9-7-14)22-24-17-4-3-16(11-20(17)29-22)21(26)23-12-15-2-5-18-19(10-15)28-13-27-18/h2-5,10-11,14H,6-9,12-13H2,1H3,(H,23,26)