N,N-diethyl-3-(4-fluorophenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide

Systemtic Name: N,N-diethyl-3-(4-fluorophenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-N,N-diethyl-3-(4-fluorophenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N,N-diethyl-3-(4-fluorophenyl)-4-oxo-2-(phenylmethylthio)-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-N,N-diethyl-3-(4-fluorophenyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-N,N-diethyl-3-(4-fluorophenyl)-4-keto-quinazoline-7-carboxamide Formula: C26H24FN3O2S MolecularWeight: 461.551063

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H24FN3O2S/c1-3-29(4-2)24(31)19-10-15-22-23(16-19)28-26(33-17-18-8-6-5-7-9-18)30(25(22)32)21-13-11-20(27)12-14-21/h5-16H,3-4,17H2,1-2H3