N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)-1-piperidinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carbothioamide Traditional Name: 4-(2-keto-3H-benzimidazol-1-yl)-N-piperonyl-piperidine-1-carbothioamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)C(=S)NCC4=CC5=C(C=C4)OCO5

InChI

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