1-[2-[(4-chlorophenyl)methylsulfanyl]-3-cyclohexyl-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-3-cyclohexyl-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-3-cyclohexyl-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[(4-chlorophenyl)methylthio]-3-cyclohexyl-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-3-cyclohexyl-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(4-chlorobenzyl)thio]-3-cyclohexyl-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C28H31ClN4O3S MolecularWeight: 539.08874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCC(CC4)C(=O)N)N=C2SCC5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H31ClN4O3S/c29-21-9-6-18(7-10-21)17-37-28-31-24-16-20(26(35)32-14-12-19(13-15-32)25(30)34)8-11-23(24)27(36)33(28)22-4-2-1-3-5-22/h6-11,16,19,22H,1-5,12-15,17H2,(H2,30,34)