N-[(3S)-1-[8-[(1-methylpyrazol-3-yl)amino]quinolin-6-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3S)-1-[8-[(1-methylpyrazol-3-yl)amino]quinolin-6-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3S)-1-[8-[(1-methylpyrazol-3-yl)amino]-6-quinolyl]-3-piperidyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(3S)-1-[8-[(1-methyl-3-pyrazolyl)amino]-6-quinolinyl]-3-piperidinyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3S)-1-[8-[(1-methylpyrazol-3-yl)amino]quinolin-6-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3S)-1-[8-[(1-methylpyrazol-3-yl)amino]-6-quinolyl]-3-piperidyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C27H30N6OS MolecularWeight: 486.6317

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)NC2=C3C(=CC(=C2)N4CCCC(C4)NC(=O)C5=CC6=C(S5)CCCC6)C=CC=N3

Isomeric SMILES

CN1C=CC(=N1)NC2=C3C(=CC(=C2)N4CCC[C@@H](C4)NC(=O)C5=CC6=C(S5)CCCC6)C=CC=N3

InChI

InChI=1S/C27H30N6OS/c1-32-13-10-25(31-32)30-22-16-21(14-19-7-4-11-28-26(19)22)33-12-5-8-20(17-33)29-27(34)24-15-18-6-2-3-9-23(18)35-24/h4,7,10-11,13-16,20H,2-3,5-6,8-9,12,17H2,1H3,(H,29,34)(H,30,31)/t20-/m0/s1