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

Systemtic Name: 3-(3-chloranyl-4-methoxy-phenyl)-2-(2-oxidanylidenecycloheptyl)sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chloro-4-methoxy-phenyl)-2-(2-oxocycloheptyl)sulfanyl-quinazolin-4-one CAS Name: 3-(3-chloro-4-methoxyphenyl)-2-[(2-oxocycloheptyl)thio]-4-quinazolinone IUPAC Name: 3-(3-chloro-4-methoxyphenyl)-2-(2-oxocycloheptyl)sulfanylquinazolin-4-one Traditional Name: 3-(3-chloro-4-methoxy-phenyl)-2-[(2-ketocycloheptyl)thio]quinazolin-4-one Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCCC4=O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4CCCCCC4=O)Cl

InChI

InChI=1S/C22H21ClN2O3S/c1-28-19-12-11-14(13-16(19)23)25-21(27)15-7-5-6-8-17(15)24-22(25)29-20-10-4-2-3-9-18(20)26/h5-8,11-13,20H,2-4,9-10H2,1H3