N-[[3-methyl-4-[3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine

Systemtic Name: N-[[3-methyl-4-[3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine Openeye Name: N-[[3-methyl-4-[3-[4-(4-pyridylmethyl)piperazin-1-yl]propylsulfanyl]-2-pyridyl]methyl]quinolin-3-amine CAS Name: N-[[3-methyl-4-[3-[4-(pyridin-4-ylmethyl)-1-piperazinyl]propylthio]-2-pyridinyl]methyl]-3-quinolinamine IUPAC Name: N-[[3-methyl-4-[3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propylsulfanyl]pyridin-2-yl]methyl]quinolin-3-amine Traditional Name: [3-methyl-4-[3-[4-(4-pyridylmethyl)piperazino]propylthio]-2-pyridyl]methyl-(3-quinolyl)amine Formula: C29H34N6S MolecularWeight: 498.68546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)SCCCN4CCN(CC4)CC5=CC=NC=C5

Isomeric SMILES

CC1=C(C=CN=C1CNC2=CC3=CC=CC=C3N=C2)SCCCN4CCN(CC4)CC5=CC=NC=C5

InChI

InChI=1S/C29H34N6S/c1-23-28(21-32-26-19-25-5-2-3-6-27(25)33-20-26)31-12-9-29(23)36-18-4-13-34-14-16-35(17-15-34)22-24-7-10-30-11-8-24/h2-3,5-12,19-20,32H,4,13-18,21-22H2,1H3