1,3-benzodioxol-5-yl-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperazin-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[2-methyl-4-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-1-piperazinyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methylpiperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)-2-methyl-piperazino]methanone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C4=NC(=NS4)CC5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC3=C(C=C2)OCO3)C4=NC(=NS4)CC5=CC=CC=C5

InChI

InChI=1S/C22H22N4O3S/c1-15-13-25(22-23-20(24-30-22)11-16-5-3-2-4-6-16)9-10-26(15)21(27)17-7-8-18-19(12-17)29-14-28-18/h2-8,12,15H,9-11,13-14H2,1H3