2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-ethanamide

Systemtic Name: 2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclohexyl-ethanamide Openeye Name: 2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclohexyl-acetamide CAS Name: 2-[[3-[3-[4-(3-chlorophenyl)-1-piperazinyl]propyl]-4-oxo-2-quinazolinyl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[3-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide Traditional Name: 2-[[3-[3-[4-(3-chlorophenyl)piperazino]propyl]-4-keto-quinazolin-2-yl]thio]-N-cyclohexyl-acetamide Formula: C29H36ClN5O2S MolecularWeight: 554.14644

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCN(CC4)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCN4CCN(CC4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H36ClN5O2S/c30-22-8-6-11-24(20-22)34-18-16-33(17-19-34)14-7-15-35-28(37)25-12-4-5-13-26(25)32-29(35)38-21-27(36)31-23-9-2-1-3-10-23/h4-6,8,11-13,20,23H,1-3,7,9-10,14-19,21H2,(H,31,36)