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

Systemtic Name: 3-chloranyl-N-methyl-2-(1-methylsulfanylbenzimidazol-2-yl)-N-[2-[4-(phenylmethyl)piperazin-1-yl]ethyl]pyridin-4-amine Openeye Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-chloro-N-methyl-2-(1-methylsulfanylbenzimidazol-2-yl)pyridin-4-amine CAS Name: 3-chloro-N-methyl-2-[1-(methylthio)-2-benzimidazolyl]-N-[2-[4-(phenylmethyl)-1-piperazinyl]ethyl]-4-pyridinamine IUPAC Name: N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-chloro-N-methyl-2-(1-methylsulfanylbenzimidazol-2-yl)pyridin-4-amine Traditional Name: 2-(4-benzylpiperazino)ethyl-[3-chloro-2-[1-(methylthio)benzimidazol-2-yl]-4-pyridyl]-methyl-amine Formula: C27H31ClN6S MolecularWeight: 507.09324

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN1CCN(CC1)CC2=CC=CC=C2)C3=C(C(=NC=C3)C4=NC5=CC=CC=C5N4SC)Cl

Isomeric SMILES

CN(CCN1CCN(CC1)CC2=CC=CC=C2)C3=C(C(=NC=C3)C4=NC5=CC=CC=C5N4SC)Cl

InChI

InChI=1S/C27H31ClN6S/c1-31(14-15-32-16-18-33(19-17-32)20-21-8-4-3-5-9-21)24-12-13-29-26(25(24)28)27-30-22-10-6-7-11-23(22)34(27)35-2/h3-13H,14-20H2,1-2H3