3-chloranyl-N-methyl-2-(1-methylsulfanylbenzimidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridin-4-amine

Systemtic Name: 3-chloranyl-N-methyl-2-(1-methylsulfanylbenzimidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridin-4-amine Openeye Name: 3-chloro-N-methyl-2-(1-methylsulfanylbenzimidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridin-4-amine CAS Name: 3-chloro-N-methyl-2-[1-(methylthio)-2-benzimidazolyl]-N-[2-(4-phenyl-1-piperazinyl)ethyl]-4-pyridinamine IUPAC Name: 3-chloro-N-methyl-2-(1-methylsulfanylbenzimidazol-2-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]pyridin-4-amine Traditional Name: [3-chloro-2-[1-(methylthio)benzimidazol-2-yl]-4-pyridyl]-methyl-[2-(4-phenylpiperazino)ethyl]amine Formula: C26H29ClN6S MolecularWeight: 493.06666

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCN(CC1)C2=CC=CC=C2)C3=C(C(=NC=C3)C4=NC5=CC=CC=C5N4SC)Cl

Isomeric SMILES

CN(CCN1CCN(CC1)C2=CC=CC=C2)C3=C(C(=NC=C3)C4=NC5=CC=CC=C5N4SC)Cl

InChI

InChI=1S/C26H29ClN6S/c1-30(14-15-31-16-18-32(19-17-31)20-8-4-3-5-9-20)23-12-13-28-25(24(23)27)26-29-21-10-6-7-11-22(21)33(26)34-2/h3-13H,14-19H2,1-2H3