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

Systemtic Name: [4-(2-methylphenyl)piperazin-1-yl]-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]piperidin-3-yl]methanone Openeye Name: [1-(3-benzyl-1,2,4-thiadiazol-5-yl)-3-piperidyl]-[4-(o-tolyl)piperazin-1-yl]methanone CAS Name: [4-(2-methylphenyl)-1-piperazinyl]-[1-[3-(phenylmethyl)-1,2,4-thiadiazol-5-yl]-3-piperidinyl]methanone IUPAC Name: [1-(3-benzyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone Traditional Name: [1-(3-benzyl-1,2,4-thiadiazol-5-yl)-3-piperidyl]-[4-(o-tolyl)piperazino]methanone Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCCN(C3)C4=NC(=NS4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=O)C3CCCN(C3)C4=NC(=NS4)CC5=CC=CC=C5

InChI

InChI=1S/C26H31N5OS/c1-20-8-5-6-12-23(20)29-14-16-30(17-15-29)25(32)22-11-7-13-31(19-22)26-27-24(28-33-26)18-21-9-3-2-4-10-21/h2-6,8-10,12,22H,7,11,13-19H2,1H3