N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-methylsulfanylethylamino)piperidin-1-yl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-methylsulfanylethylamino)piperidin-1-yl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-methylsulfanylethylamino)-1-piperidyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-[2-(methylthio)ethylamino]-1-piperidinyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(2-methylsulfanylethylamino)piperidin-1-yl]benzamide Traditional Name: 4-[4-[2-(methylthio)ethylamino]piperidino]-N-piperonyl-benzamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSCCNC1CCN(CC1)C2=CC=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O3S/c1-30-13-10-24-19-8-11-26(12-9-19)20-5-3-18(4-6-20)23(27)25-15-17-2-7-21-22(14-17)29-16-28-21/h2-7,14,19,24H,8-13,15-16H2,1H3,(H,25,27)