3-(4-butan-2-ylphenyl)-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(4-butan-2-ylphenyl)-2-[(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 2-[(7,8-dimethyl-2-oxo-chromen-4-yl)methylsulfanyl]-3-(4-sec-butylphenyl)quinazolin-4-one CAS Name: 3-(4-butan-2-ylphenyl)-2-[(7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methylthio]-4-quinazolinone IUPAC Name: 3-(4-butan-2-ylphenyl)-2-[(7,8-dimethyl-2-oxochromen-4-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 2-[(2-keto-7,8-dimethyl-chromen-4-yl)methylthio]-3-(4-sec-butylphenyl)quinazolin-4-one Formula: C30H28N2O3S MolecularWeight: 496.61992

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5C)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC(=O)OC5=C4C=CC(=C5C)C

InChI

InChI=1S/C30H28N2O3S/c1-5-18(2)21-11-13-23(14-12-21)32-29(34)25-8-6-7-9-26(25)31-30(32)36-17-22-16-27(33)35-28-20(4)19(3)10-15-24(22)28/h6-16,18H,5,17H2,1-4H3