3-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3,4-dimethoxyphenyl)-N-[3-(1-imidazolyl)propyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H23N5O4S MolecularWeight: 465.52482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4C=CN=C4)NC2=S)OC

Isomeric SMILES

COC1=C(C=C(C=C1)N2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4C=CN=C4)NC2=S)OC

InChI

InChI=1S/C23H23N5O4S/c1-31-19-7-5-16(13-20(19)32-2)28-22(30)17-6-4-15(12-18(17)26-23(28)33)21(29)25-8-3-10-27-11-9-24-14-27/h4-7,9,11-14H,3,8,10H2,1-2H3,(H,25,29)(H,26,33)