N-(furan-2-ylmethyl)-2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(2-furylmethyl)-2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(2-furanylmethyl)-2-[[3-[[3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-oxo-2-quinazolinyl]thio]butanamide IUPAC Name: N-(furan-2-ylmethyl)-2-[3-[3-(1H-indol-3-yl)propanoylamino]-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(2-furfuryl)-2-[[3-[3-(1H-indol-3-yl)propanoylamino]-4-keto-quinazolin-2-yl]thio]butyramide Formula: C28H27N5O4S MolecularWeight: 529.61008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CC=CO1)SC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54

Isomeric SMILES

CCC(C(=O)NCC1=CC=CO1)SC2=NC3=CC=CC=C3C(=O)N2NC(=O)CCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C28H27N5O4S/c1-2-24(26(35)30-17-19-8-7-15-37-19)38-28-31-23-12-6-4-10-21(23)27(36)33(28)32-25(34)14-13-18-16-29-22-11-5-3-9-20(18)22/h3-12,15-16,24,29H,2,13-14,17H2,1H3,(H,30,35)(H,32,34)