N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]acetamide CAS Name: N-[2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-[2-(4-methoxyphenyl)-2-piperidino-ethyl]acetamide Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)N4CCCCC4

InChI

InChI=1S/C27H32N4O3S/c1-3-15-31-26(33)22-9-5-6-10-23(22)29-27(31)35-19-25(32)28-18-24(30-16-7-4-8-17-30)20-11-13-21(34-2)14-12-20/h3,5-6,9-14,24H,1,4,7-8,15-19H2,2H3,(H,28,32)