3-[(Z)-(4-butoxy-3-ethoxy-phenyl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(Z)-(4-butoxy-3-ethoxy-phenyl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[(Z)-(4-butoxy-3-ethoxy-phenyl)methyleneamino]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[(Z)-(4-butoxy-3-ethoxy-benzylidene)amino]-2-thioxo-1H-quinazolin-4-one Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=NN2C(=O)C3=CC=CC=C3NC2=S)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=N\N2C(=O)C3=CC=CC=C3NC2=S)OCC

InChI

InChI=1S/C21H23N3O3S/c1-3-5-12-27-18-11-10-15(13-19(18)26-4-2)14-22-24-20(25)16-8-6-7-9-17(16)23-21(24)28/h6-11,13-14H,3-5,12H2,1-2H3,(H,23,28)/b22-14-