N-(2-morpholin-4-ylethyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2-morpholin-4-ylethyl)-4-oxidanylidene-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2-morpholinoethyl)-4-oxo-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(4-morpholinyl)ethyl]-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2-morpholin-4-ylethyl)-4-oxo-3-phenethyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(2-morpholinoethyl)-3-phenethyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

Isomeric SMILES

C1COCCN1CCNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CCC4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c28-21(24-9-11-26-12-14-30-15-13-26)18-6-7-19-20(16-18)25-23(31)27(22(19)29)10-8-17-4-2-1-3-5-17/h1-7,16H,8-15H2,(H,24,28)(H,25,31)