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

Systemtic Name: N-[(3S)-1-[8-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]quinolin-6-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3S)-1-[8-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-6-quinolyl]-3-piperidyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: N-[(3S)-1-[8-[[5-(4-methyl-1-piperazinyl)-2-pyridinyl]amino]-6-quinolinyl]-3-piperidinyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3S)-1-[8-[[5-(4-methylpiperazin-1-yl)pyridin-2-yl]amino]quinolin-6-yl]piperidin-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3S)-1-[8-[[5-(4-methylpiperazino)-2-pyridyl]amino]-6-quinolyl]-3-piperidyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C33H39N7OS MolecularWeight: 581.77406

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CN=C(C=C2)NC3=C4C(=CC(=C3)N5CCCC(C5)NC(=O)C6=CC7=C(S6)CCCC7)C=CC=N4

Isomeric SMILES

CN1CCN(CC1)C2=CN=C(C=C2)NC3=C4C(=CC(=C3)N5CCC[C@@H](C5)NC(=O)C6=CC7=C(S6)CCCC7)C=CC=N4

InChI

InChI=1S/C33H39N7OS/c1-38-14-16-39(17-15-38)26-10-11-31(35-21-26)37-28-20-27(18-24-7-4-12-34-32(24)28)40-13-5-8-25(22-40)36-33(41)30-19-23-6-2-3-9-29(23)42-30/h4,7,10-12,18-21,25H,2-3,5-6,8-9,13-17,22H2,1H3,(H,35,37)(H,36,41)/t25-/m0/s1