N-(furan-2-ylmethyl)-4-[[4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-3-yl]methyl]cyclohexane-1-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-4-[[4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-3-yl]methyl]cyclohexane-1-carboxamide Openeye Name: N-(2-furylmethyl)-4-[[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-3-yl]methyl]cyclohexanecarboxamide CAS Name: N-(2-furanylmethyl)-4-[[4-oxo-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-3-quinazolinyl]methyl]-1-cyclohexanecarboxamide IUPAC Name: N-(furan-2-ylmethyl)-4-[[4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazolin-3-yl]methyl]cyclohexane-1-carboxamide Traditional Name: N-(2-furfuryl)-4-[[4-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]quinazolin-3-yl]methyl]cyclohexanecarboxamide Formula: C33H37N5O4S MolecularWeight: 599.74298

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)NCC6=CC=CO6

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCN(CC4)C5=CC=CC=C5)C(=O)NCC6=CC=CO6

InChI

InChI=1S/C33H37N5O4S/c39-30(37-18-16-36(17-19-37)26-7-2-1-3-8-26)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)34-21-27-9-6-20-42-27/h1-11,20,24-25H,12-19,21-23H2,(H,34,40)