N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(3-benzyl-1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide Traditional Name: 1-(3-benzyl-1,2,4-thiadiazol-5-yl)-N-piperonyl-pyrrolidine-2-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC(=NS2)CC3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC(N(C1)C2=NC(=NS2)CC3=CC=CC=C3)C(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N4O3S/c27-21(23-13-16-8-9-18-19(11-16)29-14-28-18)17-7-4-10-26(17)22-24-20(25-30-22)12-15-5-2-1-3-6-15/h1-3,5-6,8-9,11,17H,4,7,10,12-14H2,(H,23,27)