3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[2-furylmethyl-[3-(p-tolylmethyl)-1,2,4-thiadiazol-5-yl]amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[2-furanylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-1-[4-(4-methoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[furan-2-ylmethyl-[3-[(4-methylphenyl)methyl]-1,2,4-thiadiazol-5-yl]amino]-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[2-furfuryl-[3-(4-methylbenzyl)-1,2,4-thiadiazol-5-yl]amino]-1-[4-(4-methoxyphenyl)piperazino]propan-1-one Formula: C29H33N5O3S MolecularWeight: 531.66902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=NSC(=N2)N(CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=CO5

Isomeric SMILES

CC1=CC=C(C=C1)CC2=NSC(=N2)N(CCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC)CC5=CC=CO5

InChI

InChI=1S/C29H33N5O3S/c1-22-5-7-23(8-6-22)20-27-30-29(38-31-27)34(21-26-4-3-19-37-26)14-13-28(35)33-17-15-32(16-18-33)24-9-11-25(36-2)12-10-24/h3-12,19H,13-18,20-21H2,1-2H3