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

Systemtic Name: 1,3-benzodioxol-5-yl-[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)piperazin-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[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)piperazin-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(3-benzyl-1,2,4-thiadiazol-5-yl)piperazino]methanone Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC(=NS2)CC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=NC(=NS2)CC3=CC=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N4O3S/c26-20(16-6-7-17-18(13-16)28-14-27-17)24-8-10-25(11-9-24)21-22-19(23-29-21)12-15-4-2-1-3-5-15/h1-7,13H,8-12,14H2