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

Systemtic Name: 1-[2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-pentyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-3-pentyl-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-oxo-3-pentyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-oxo-3-pentylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-amyl-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C28H31ClN4O4S MolecularWeight: 555.08814

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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=C1SCC(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C28H31ClN4O4S/c1-2-3-4-13-33-27(37)22-10-7-20(26(36)32-14-11-19(12-15-32)25(30)35)16-23(22)31-28(33)38-17-24(34)18-5-8-21(29)9-6-18/h5-10,16,19H,2-4,11-15,17H2,1H3,(H2,30,35)