N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[3-(2-azanyl-2-oxidanylidene-ethoxy)phenyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[3-(2-amino-2-oxo-ethoxy)phenyl]-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[3-(2-amino-2-keto-ethoxy)phenyl]-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)OCC(=O)N)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3=CC(=CC=C3)OCC(=O)N)NC1=S

InChI

InChI=1S/C21H22N4O5S/c1-29-9-3-8-25-20(28)16-7-6-13(10-17(16)24-21(25)31)19(27)23-14-4-2-5-15(11-14)30-12-18(22)26/h2,4-7,10-11H,3,8-9,12H2,1H3,(H2,22,26)(H,23,27)(H,24,31)