2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-2-[(1S)-2-oxocyclohexyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[(1S)-2-oxocyclohexyl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-2-[(1S)-2-oxocyclohexyl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-2-[[(1S)-2-ketocyclohexyl]thio]quinazolin-4-one Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

C1CCC(=O)[C@H](C1)SC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C21H20N2O2S/c24-18-12-6-7-13-19(18)26-21-22-17-11-5-4-10-16(17)20(25)23(21)14-15-8-2-1-3-9-15/h1-5,8-11,19H,6-7,12-14H2/t19-/m0/s1