1-(3-methylpiperidin-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(3-methylpiperidin-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanone Openeye Name: 1-(3-methyl-1-piperidyl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-(3-methyl-1-piperidinyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]ethanone IUPAC Name: 1-(3-methylpiperidin-1-yl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylethanone Traditional Name: 1-(3-methylpiperidino)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]ethanone Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC1CCCN(C1)C(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C20H21N3OS2/c1-14-6-4-10-23(12-14)18(24)13-26-20-15-7-2-3-8-16(15)21-19(22-20)17-9-5-11-25-17/h2-3,5,7-9,11,14H,4,6,10,12-13H2,1H3