N-(furan-2-ylmethyl)-2-[4-oxidanylidene-3-[[4-(4-phenylpiperazin-1-yl)carbonylcyclohexyl]methyl]quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(furan-2-ylmethyl)-2-[4-oxidanylidene-3-[[4-(4-phenylpiperazin-1-yl)carbonylcyclohexyl]methyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-furylmethyl)-2-[4-oxo-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-furanylmethyl)-2-[[4-oxo-3-[[4-[oxo-(4-phenyl-1-piperazinyl)methyl]cyclohexyl]methyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(furan-2-ylmethyl)-2-[4-oxo-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-furfuryl)-2-[[4-keto-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-2-yl]thio]acetamide Formula: C33H37N5O4S MolecularWeight: 599.74298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CO4)C(=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CC=CO4)C(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C33H37N5O4S/c39-30(34-21-27-9-6-20-42-27)23-43-33-35-29-11-5-4-10-28(29)32(41)38(33)22-24-12-14-25(15-13-24)31(40)37-18-16-36(17-19-37)26-7-2-1-3-8-26/h1-11,20,24-25H,12-19,21-23H2,(H,34,39)