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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-3-piperidyl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]-3-piperidinyl]methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-[1-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanone Traditional Name: [1-[3-(4-chlorobenzyl)-1,2,4-thiadiazol-5-yl]-3-piperidyl]-(4-piperonylpiperazino)methanone Formula: C27H30ClN5O3S MolecularWeight: 540.0768

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC(CN(C1)C2=NC(=NS2)CC3=CC=C(C=C3)Cl)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H30ClN5O3S/c28-22-6-3-19(4-7-22)15-25-29-27(37-30-25)33-9-1-2-21(17-33)26(34)32-12-10-31(11-13-32)16-20-5-8-23-24(14-20)36-18-35-23/h3-8,14,21H,1-2,9-13,15-18H2