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

Systemtic Name: 3-(3-methoxyphenyl)-2-[(1S)-2-oxidanylidenecyclohexyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-methoxyphenyl)-2-[(1S)-2-oxocyclohexyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-methoxyphenyl)-2-[[(1S)-2-oxocyclohexyl]thio]-4-quinazolinone IUPAC Name: 3-(3-methoxyphenyl)-2-[(1S)-2-oxocyclohexyl]sulfanylquinazolin-4-one Traditional Name: 2-[[(1S)-2-ketocyclohexyl]thio]-3-(3-methoxyphenyl)quinazolin-4-one Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCC4=O

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2S[C@H]4CCCCC4=O

InChI

InChI=1S/C21H20N2O3S/c1-26-15-8-6-7-14(13-15)23-20(25)16-9-2-3-10-17(16)22-21(23)27-19-12-5-4-11-18(19)24/h2-3,6-10,13,19H,4-5,11-12H2,1H3/t19-/m0/s1