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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-27-11-3-10-24-20(26)17-9-6-15(12-18(17)23-21(24)29)19(25)22-13-14-4-7-16(28-2)8-5-14/h4-9,12H,3,10-11,13H2,1-2H3,(H,22,25)(H,23,29)