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

Systemtic Name: N-[2-(4-chloranylphenoxy)ethyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(4-chlorophenoxy)ethyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(4-chlorophenoxy)ethyl]-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22ClN3O4S MolecularWeight: 447.93508

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC3=CC=C(C=C3)Cl)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCOC3=CC=C(C=C3)Cl)NC1=S

InChI

InChI=1S/C21H22ClN3O4S/c1-28-11-2-10-25-20(27)17-8-3-14(13-18(17)24-21(25)30)19(26)23-9-12-29-16-6-4-15(22)5-7-16/h3-8,13H,2,9-12H2,1H3,(H,23,26)(H,24,30)