1-[2-[2-(2-methoxyphenyl)sulfanylquinolin-8-yl]prop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[2-(2-methoxyphenyl)sulfanylquinolin-8-yl]prop-2-enoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[2-(2-methoxyphenyl)sulfanyl-8-quinolyl]prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[2-[2-[(2-methoxyphenyl)thio]-8-quinolinyl]-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-(2-methoxyphenyl)sulfanylquinolin-8-yl]prop-2-enoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[2-[(2-methoxyphenyl)thio]-8-quinolyl]acryloyl]isonipecotamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1SC2=NC3=C(C=CC=C3C(=C)C(=O)N4CCC(CC4)C(=O)N)C=C2

Isomeric SMILES

COC1=CC=CC=C1SC2=NC3=C(C=CC=C3C(=C)C(=O)N4CCC(CC4)C(=O)N)C=C2

InChI

InChI=1S/C25H25N3O3S/c1-16(25(30)28-14-12-18(13-15-28)24(26)29)19-7-5-6-17-10-11-22(27-23(17)19)32-21-9-4-3-8-20(21)31-2/h3-11,18H,1,12-15H2,2H3,(H2,26,29)