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

Systemtic Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-prop-2-enyl-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-allyl-2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-[(4-chlorophenyl)methylthio]-4-oxo-3-prop-2-enyl-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]-4-oxo-3-prop-2-enylquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-allyl-2-[(4-chlorobenzyl)thio]-4-keto-quinazoline-7-carbonyl]isonipecotamide Formula: C25H25ClN4O3S MolecularWeight: 497.009

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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=C1SCC4=CC=C(C=C4)Cl

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)N)N=C1SCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H25ClN4O3S/c1-2-11-30-24(33)20-8-5-18(23(32)29-12-9-17(10-13-29)22(27)31)14-21(20)28-25(30)34-15-16-3-6-19(26)7-4-16/h2-8,14,17H,1,9-13,15H2,(H2,27,31)