3-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[1-(4-isobutoxy-3-methoxy-phenyl)ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[1-(4-isobutoxy-3-methoxy-phenyl)ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(C)N2C(=O)C3=CC=CC=C3NC2=S)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(C)N2C(=O)C3=CC=CC=C3NC2=S)OC

InChI

InChI=1S/C21H24N2O3S/c1-13(2)12-26-18-10-9-15(11-19(18)25-4)14(3)23-20(24)16-7-5-6-8-17(16)22-21(23)27/h5-11,13-14H,12H2,1-4H3,(H,22,27)