N-(1,3-benzodioxol-5-ylmethyl)-4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-oxidanylidene-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-oxo-3-[3-(1-piperidyl)propyl]benzimidazol-1-yl]piperidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-oxo-3-[3-(1-piperidinyl)propyl]-1-benzimidazolyl]-1-piperidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-oxo-3-(3-piperidin-1-ylpropyl)benzimidazol-1-yl]piperidine-1-carbothioamide Traditional Name: 4-[2-keto-3-(3-piperidinopropyl)benzimidazol-1-yl]-N-piperonyl-piperidine-1-carbothioamide Formula: C29H37N5O3S MolecularWeight: 535.70078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NCC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCN(CC1)CCCN2C3=CC=CC=C3N(C2=O)C4CCN(CC4)C(=S)NCC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H37N5O3S/c35-29-33(16-6-15-31-13-4-1-5-14-31)24-7-2-3-8-25(24)34(29)23-11-17-32(18-12-23)28(38)30-20-22-9-10-26-27(19-22)37-21-36-26/h2-3,7-10,19,23H,1,4-6,11-18,20-21H2,(H,30,38)