2-[[4-oxidanylidene-3-[[4-(4-phenylpiperazin-1-yl)carbonylcyclohexyl]methyl]quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[[4-oxidanylidene-3-[[4-(4-phenylpiperazin-1-yl)carbonylcyclohexyl]methyl]quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[4-oxo-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[4-oxo-3-[[4-[oxo-(4-phenyl-1-piperazinyl)methyl]cyclohexyl]methyl]-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 2-[[4-oxo-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[4-keto-3-[[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl]quinazolin-2-yl]thio]methyl]benzonitrile Formula: C34H35N5O2S MolecularWeight: 577.739

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N)C(=O)N5CCN(CC5)C6=CC=CC=C6

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4C#N)C(=O)N5CCN(CC5)C6=CC=CC=C6

InChI

InChI=1S/C34H35N5O2S/c35-22-27-8-4-5-9-28(27)24-42-34-36-31-13-7-6-12-30(31)33(41)39(34)23-25-14-16-26(17-15-25)32(40)38-20-18-37(19-21-38)29-10-2-1-3-11-29/h1-13,25-26H,14-21,23-24H2