N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(2-fluorophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C27H27FN4O2S MolecularWeight: 490.592283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4F)N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4F)N(C)C

InChI

InChI=1S/C27H27FN4O2S/c1-4-17-9-11-18(12-10-17)24(31(2)3)16-29-25(33)19-13-14-20-22(15-19)30-27(35)32(26(20)34)23-8-6-5-7-21(23)28/h5-15,24H,4,16H2,1-3H3,(H,29,33)(H,30,35)