1-[2-[8-(2-methoxyphenyl)sulfanylquinolin-5-yl]prop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-[8-(2-methoxyphenyl)sulfanylquinolin-5-yl]prop-2-enoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[8-(2-methoxyphenyl)sulfanyl-5-quinolyl]prop-2-enoyl]piperidine-4-carboxamide CAS Name: 1-[2-[8-[(2-methoxyphenyl)thio]-5-quinolinyl]-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[8-(2-methoxyphenyl)sulfanylquinolin-5-yl]prop-2-enoyl]piperidine-4-carboxamide Traditional Name: 1-[2-[8-[(2-methoxyphenyl)thio]-5-quinolyl]acryloyl]isonipecotamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1SC2=C3C(=C(C=C2)C(=C)C(=O)N4CCC(CC4)C(=O)N)C=CC=N3

Isomeric SMILES

COC1=CC=CC=C1SC2=C3C(=C(C=C2)C(=C)C(=O)N4CCC(CC4)C(=O)N)C=CC=N3

InChI

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