2-(4-phenylazanylquinazolin-2-yl)sulfanyl-1-piperidin-1-yl-ethanone

Systemtic Name: 2-(4-phenylazanylquinazolin-2-yl)sulfanyl-1-piperidin-1-yl-ethanone Openeye Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-1-(1-piperidyl)ethanone CAS Name: 2-[(4-anilino-2-quinazolinyl)thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-(4-anilinoquinazolin-2-yl)sulfanyl-1-piperidin-1-ylethanone Traditional Name: 2-[(4-anilinoquinazolin-2-yl)thio]-1-piperidino-ethanone Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC4=CC=CC=C4

InChI

InChI=1S/C21H22N4OS/c26-19(25-13-7-2-8-14-25)15-27-21-23-18-12-6-5-11-17(18)20(24-21)22-16-9-3-1-4-10-16/h1,3-6,9-12H,2,7-8,13-15H2,(H,22,23,24)