2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-N-(3-propan-2-yloxypropyl)quinazoline-7-carboxamide

Systemtic Name: 2-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-N-(3-propan-2-yloxypropyl)quinazoline-7-carboxamide Openeye Name: 2-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)-N-(3-isopropoxypropyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-3-(2-furanylmethyl)-4-oxo-N-(3-propan-2-yloxypropyl)-7-quinazolinecarboxamide IUPAC Name: 2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxo-N-(3-propan-2-yloxypropyl)quinazoline-7-carboxamide Traditional Name: 2-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-3-(2-furfuryl)-N-(3-isopropoxypropyl)-4-keto-quinazoline-7-carboxamide Formula: C28H28FN3O5S MolecularWeight: 537.602423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

CC(C)OCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C28H28FN3O5S/c1-18(2)36-14-4-12-30-26(34)20-8-11-23-24(15-20)31-28(32(27(23)35)16-22-5-3-13-37-22)38-17-25(33)19-6-9-21(29)10-7-19/h3,5-11,13,15,18H,4,12,14,16-17H2,1-2H3,(H,30,34)