2-azanyl-1-[2-(1H-indol-6-ylcarbonyl)-4-(1-methylpiperidin-4-yl)piperidin-1-yl]-4-methylsulfanyl-butan-1-one

Systemtic Name: 2-azanyl-1-[2-(1H-indol-6-ylcarbonyl)-4-(1-methylpiperidin-4-yl)piperidin-1-yl]-4-methylsulfanyl-butan-1-one Openeye Name: 2-amino-1-[2-(1H-indole-6-carbonyl)-4-(1-methyl-4-piperidyl)-1-piperidyl]-4-methylsulfanyl-butan-1-one CAS Name: 2-amino-1-[2-[1H-indol-6-yl(oxo)methyl]-4-(1-methyl-4-piperidinyl)-1-piperidinyl]-4-(methylthio)-1-butanone IUPAC Name: 2-amino-1-[2-(1H-indole-6-carbonyl)-4-(1-methylpiperidin-4-yl)piperidin-1-yl]-4-methylsulfanylbutan-1-one Traditional Name: 2-amino-1-[2-(1H-indole-6-carbonyl)-4-(1-methyl-4-piperidyl)piperidino]-4-(methylthio)butan-1-one Formula: C25H36N4O2S MolecularWeight: 456.64394

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C2CCN(C(C2)C(=O)C3=CC4=C(C=C3)C=CN4)C(=O)C(CCSC)N

Isomeric SMILES

CN1CCC(CC1)C2CCN(C(C2)C(=O)C3=CC4=C(C=C3)C=CN4)C(=O)C(CCSC)N

InChI

InChI=1S/C25H36N4O2S/c1-28-11-6-17(7-12-28)19-8-13-29(25(31)21(26)9-14-32-2)23(16-19)24(30)20-4-3-18-5-10-27-22(18)15-20/h3-5,10,15,17,19,21,23,27H,6-9,11-14,16,26H2,1-2H3