N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,5-dimethoxybenzyl)-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)OC)OC)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C(C=CC(=C3)OC)OC)NC1=S

InChI

InChI=1S/C22H25N3O5S/c1-28-10-4-9-25-21(27)17-7-5-14(12-18(17)24-22(25)31)20(26)23-13-15-11-16(29-2)6-8-19(15)30-3/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,23,26)(H,24,31)