2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[2-(m-tolyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[[2-(3-methylphenyl)-5,6,7,8-tetrahydroquinazolin-4-yl]sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[2-(m-tolyl)-5,6,7,8-tetrahydroquinazolin-4-yl]thio]-1-piperidino-ethanone Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(CCCC3)C(=N2)SCC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(CCCC3)C(=N2)SCC(=O)N4CCCCC4

InChI

InChI=1S/C22H27N3OS/c1-16-8-7-9-17(14-16)21-23-19-11-4-3-10-18(19)22(24-21)27-15-20(26)25-12-5-2-6-13-25/h7-9,14H,2-6,10-13,15H2,1H3