N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-3-methylphenyl]-4-(2-imidazo[1,2-a]pyridinylmethylthio)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide Traditional Name: N-[4-(4-ethylpiperazino)-3-methyl-phenyl]-4-(imidazo[1,2-a]pyridin-2-ylmethylthio)benzamide Formula: C28H31N5OS MolecularWeight: 485.64364

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)SCC4=CN5C=CC=CC5=N4)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)SCC4=CN5C=CC=CC5=N4)C

InChI

InChI=1S/C28H31N5OS/c1-3-31-14-16-32(17-15-31)26-12-9-23(18-21(26)2)30-28(34)22-7-10-25(11-8-22)35-20-24-19-33-13-5-4-6-27(33)29-24/h4-13,18-19H,3,14-17,20H2,1-2H3,(H,30,34)