2-(4-cyclohexylpiperazin-1-yl)-5-[2-[(4-phenylpiperazin-1-yl)methyl]pyrrol-1-yl]-1,3,4-thiadiazole

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-5-[2-[(4-phenylpiperazin-1-yl)methyl]pyrrol-1-yl]-1,3,4-thiadiazole Openeye Name: 2-(4-cyclohexylpiperazin-1-yl)-5-[2-[(4-phenylpiperazin-1-yl)methyl]pyrrol-1-yl]-1,3,4-thiadiazole CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-5-[2-[(4-phenyl-1-piperazinyl)methyl]-1-pyrrolyl]-1,3,4-thiadiazole IUPAC Name: 2-(4-cyclohexylpiperazin-1-yl)-5-[2-[(4-phenylpiperazin-1-yl)methyl]pyrrol-1-yl]-1,3,4-thiadiazole Traditional Name: 2-(4-cyclohexylpiperazino)-5-[2-[(4-phenylpiperazino)methyl]pyrrol-1-yl]-1,3,4-thiadiazole Formula: C27H37N7S MolecularWeight: 491.69458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C3=NN=C(S3)N4C=CC=C4CN5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C3=NN=C(S3)N4C=CC=C4CN5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C27H37N7S/c1-3-8-23(9-4-1)31-16-14-30(15-17-31)22-25-12-7-13-34(25)27-29-28-26(35-27)33-20-18-32(19-21-33)24-10-5-2-6-11-24/h1,3-4,7-9,12-13,24H,2,5-6,10-11,14-22H2