4-(oxan-4-ylamino)quinoline-3-carbothioamide

Systemtic Name: 4-(oxan-4-ylamino)quinoline-3-carbothioamide Openeye Name: 4-(tetrahydropyran-4-ylamino)quinoline-3-carbothioamide CAS Name: 4-(4-oxanylamino)-3-quinolinecarbothioamide IUPAC Name: 4-(oxan-4-ylamino)quinoline-3-carbothioamide Traditional Name: 4-(tetrahydropyran-4-ylamino)quinoline-3-carbothioamide Formula: C15H17N3OS MolecularWeight: 287.37998

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NC2=C(C=NC3=CC=CC=C32)C(=S)N

Isomeric SMILES

C1COCCC1NC2=C(C=NC3=CC=CC=C32)C(=S)N

InChI

InChI=1S/C15H17N3OS/c16-15(20)12-9-17-13-4-2-1-3-11(13)14(12)18-10-5-7-19-8-6-10/h1-4,9-10H,5-8H2,(H2,16,20)(H,17,18)