3-ethyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-4-keto-N-[2-(4-methoxyphenyl)ethyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)OC)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=C(C=C3)OC)NC1=S

InChI

InChI=1S/C20H21N3O3S/c1-3-23-19(25)16-9-6-14(12-17(16)22-20(23)27)18(24)21-11-10-13-4-7-15(26-2)8-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,21,24)(H,22,27)