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

Systemtic Name: N-(furan-2-ylmethyl)-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]butanamide Openeye Name: N-(2-furylmethyl)-4-[4-oxo-2-[2-oxo-2-(p-tolylmethylamino)ethyl]sulfanyl-quinazolin-3-yl]butanamide CAS Name: N-(2-furanylmethyl)-4-[2-[[2-[(4-methylphenyl)methylamino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]butanamide IUPAC Name: N-(furan-2-ylmethyl)-4-[2-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]butanamide Traditional Name: N-(2-furfuryl)-4-[4-keto-2-[[2-keto-2-[(4-methylbenzyl)amino]ethyl]thio]quinazolin-3-yl]butyramide Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)NCC4=CC=CO4

InChI

InChI=1S/C27H28N4O4S/c1-19-10-12-20(13-11-19)16-28-25(33)18-36-27-30-23-8-3-2-7-22(23)26(34)31(27)14-4-9-24(32)29-17-21-6-5-15-35-21/h2-3,5-8,10-13,15H,4,9,14,16-18H2,1H3,(H,28,33)(H,29,32)