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

Systemtic Name: 3-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-[(2-methoxyphenyl)methyl]-N-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(3-methoxypropyl)-3-o-anisyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3OC

Isomeric SMILES

COCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3=CC=CC=C3OC

InChI

InChI=1S/C21H23N3O4S/c1-27-11-5-10-22-19(25)14-8-9-16-17(12-14)23-21(29)24(20(16)26)13-15-6-3-4-7-18(15)28-2/h3-4,6-9,12H,5,10-11,13H2,1-2H3,(H,22,25)(H,23,29)