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

Systemtic Name: 1-[2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-allyl-2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-oxo-3-prop-2-enyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-oxo-3-prop-2-enylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-allyl-2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C26H25ClN4O4S MolecularWeight: 525.0191

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=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

C=CCN1C(=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/C26H25ClN4O4S/c1-2-11-31-25(35)20-8-5-18(24(34)30-12-9-17(10-13-30)23(28)33)14-21(20)29-26(31)36-15-22(32)16-3-6-19(27)7-4-16/h2-8,14,17H,1,9-13,15H2,(H2,28,33)