3-(3-ethoxypropyl)-4-oxidanylidene-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-ethoxypropyl)-4-oxidanylidene-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-ethoxypropyl)-4-oxo-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-ethoxypropyl)-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-ethoxypropyl)-4-oxo-N-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-ethoxypropyl)-4-keto-N-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)NC1=S

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)NC1=S

InChI

InChI=1S/C22H25N3O3S/c1-2-28-14-6-13-25-21(27)18-10-9-17(15-19(18)24-22(25)29)20(26)23-12-11-16-7-4-3-5-8-16/h3-5,7-10,15H,2,6,11-14H2,1H3,(H,23,26)(H,24,29)