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

Systemtic Name: N-[2-(dimethylamino)-3-phenyl-propyl]-3-(2-fluorophenyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(dimethylamino)-3-phenyl-propyl]-3-(2-fluorophenyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(dimethylamino)-3-phenylpropyl]-3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(dimethylamino)-3-phenylpropyl]-3-(2-fluorophenyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-[2-(dimethylamino)-3-phenyl-propyl]-3-(2-fluorophenyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C26H25FN4O2S MolecularWeight: 476.565703

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CC1=CC=CC=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4F

Isomeric SMILES

CN(C)C(CC1=CC=CC=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)C4=CC=CC=C4F

InChI

InChI=1S/C26H25FN4O2S/c1-30(2)19(14-17-8-4-3-5-9-17)16-28-24(32)18-12-13-20-22(15-18)29-26(34)31(25(20)33)23-11-7-6-10-21(23)27/h3-13,15,19H,14,16H2,1-2H3,(H,28,32)(H,29,34)