3-(3-chloranyl-4-methoxy-phenyl)-2-(2-oxidanylidenecyclohexyl)sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-2-(2-oxidanylidenecyclohexyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-2-(2-oxocyclohexyl)sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-4-methoxyphenyl)-2-[(2-oxocyclohexyl)thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-2-(2-oxocyclohexyl)sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-2-[(2-ketocyclohexyl)thio]quinazolin-4-one Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O3S/c1-27-18-11-10-13(12-15(18)22)24-20(26)14-6-2-3-7-16(14)23-21(24)28-19-9-5-4-8-17(19)25/h2-3,6-7,10-12,19H,4-5,8-9H2,1H3