3-(3-methoxypropyl)-4-oxidanylidene-N-(2-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-methoxypropyl)-4-oxidanylidene-N-(2-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-methoxypropyl)-4-oxo-N-(2-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-methoxypropyl)-4-oxo-N-(2-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-methoxypropyl)-4-oxo-N-(2-phenoxyphenyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-(3-methoxypropyl)-N-(2-phenoxyphenyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OC4=CC=CC=C4)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OC4=CC=CC=C4)NC1=S

InChI

InChI=1S/C25H23N3O4S/c1-31-15-7-14-28-24(30)19-13-12-17(16-21(19)27-25(28)33)23(29)26-20-10-5-6-11-22(20)32-18-8-3-2-4-9-18/h2-6,8-13,16H,7,14-15H2,1H3,(H,26,29)(H,27,33)