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

Systemtic Name: N-cyclopentyl-2-[4-oxidanylidene-3-[[4-(4-phenylpiperazin-1-yl)carbonylcyclohexyl]methyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-cyclopentyl-2-[4-oxo-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-cyclopentyl-2-[[4-oxo-3-[[4-[oxo-(4-phenyl-1-piperazinyl)methyl]cyclohexyl]methyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-cyclopentyl-2-[4-oxo-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-cyclopentyl-2-[[4-keto-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-2-yl]thio]acetamide Formula: C33H41N5O3S MolecularWeight: 587.77534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1CCC(C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCC(CC4)C(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C33H41N5O3S/c39-30(34-26-8-4-5-9-26)23-42-33-35-29-13-7-6-12-28(29)32(41)38(33)22-24-14-16-25(17-15-24)31(40)37-20-18-36(19-21-37)27-10-2-1-3-11-27/h1-3,6-7,10-13,24-26H,4-5,8-9,14-23H2,(H,34,39)