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

Systemtic Name: N-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(2-methoxyethylamino)-2-oxo-ethyl]-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(2-methoxyethylamino)-2-oxoethyl]-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[2-keto-2-(2-methoxyethylamino)ethyl]-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3

Isomeric SMILES

COCCNC(=O)CNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H24N4O4S/c1-30-12-10-23-19(27)14-24-20(28)16-7-8-17-18(13-16)25-22(31)26(21(17)29)11-9-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3,(H,23,27)(H,24,28)(H,25,31)