3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-4-oxo-N-[3-[2-(2-thienyl)ethynyl]phenyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-N-[3-(2-thiophen-2-ylethynyl)phenyl]-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H21N3O3S2 MolecularWeight: 475.58254

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4)NC1=S

InChI

InChI=1S/C25H21N3O3S2/c1-31-13-4-12-28-24(30)21-11-9-18(16-22(21)27-25(28)32)23(29)26-19-6-2-5-17(15-19)8-10-20-7-3-14-33-20/h2-3,5-7,9,11,14-16H,4,12-13H2,1H3,(H,26,29)(H,27,32)