N-(furan-2-ylmethyl)-4-[4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-quinazolin-3-yl]butanamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-quinazolin-3-yl]butanamide Openeye Name: N-(2-furylmethyl)-4-[4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-quinazolin-3-yl]butanamide CAS Name: N-(2-furanylmethyl)-4-[4-oxo-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-quinazolinyl]butanamide IUPAC Name: N-(furan-2-ylmethyl)-4-[4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylquinazolin-3-yl]butanamide Traditional Name: N-(2-furfuryl)-4-[4-keto-2-[[2-keto-2-(phenethylamino)ethyl]thio]quinazolin-3-yl]butyramide Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C27H28N4O4S/c32-24(29-18-21-10-7-17-35-21)13-6-16-31-26(34)22-11-4-5-12-23(22)30-27(31)36-19-25(33)28-15-14-20-8-2-1-3-9-20/h1-5,7-12,17H,6,13-16,18-19H2,(H,28,33)(H,29,32)