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

Systemtic Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-pentyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-3-pentyl-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[(4-chlorophenyl)methylthio]-4-oxo-3-pentyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-amyl-2-[(4-chlorobenzyl)thio]-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C27H31ClN4O3S MolecularWeight: 527.07804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H31ClN4O3S/c1-2-3-4-13-32-26(35)22-10-7-20(25(34)31-14-11-19(12-15-31)24(29)33)16-23(22)30-27(32)36-17-18-5-8-21(28)9-6-18/h5-10,16,19H,2-4,11-15,17H2,1H3,(H2,29,33)