2-(1,3-benzodioxol-5-yl)-4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]thiazole CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(3-methoxyphenyl)-1-piperazinyl]methyl]thiazole IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-[[4-(3-methoxyphenyl)piperazino]methyl]thiazole Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)CC3=CSC(=N3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)CC3=CSC(=N3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O3S/c1-26-19-4-2-3-18(12-19)25-9-7-24(8-10-25)13-17-14-29-22(23-17)16-5-6-20-21(11-16)28-15-27-20/h2-6,11-12,14H,7-10,13,15H2,1H3