N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[2-(4-methylphenyl)sulfanylethyl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[2-(p-tolylsulfanyl)ethyl]acetamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-[2-[(4-methylphenyl)thio]ethyl]acetamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[2-(4-methylphenyl)sulfanylethyl]acetamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-[2-(p-tolylthio)ethyl]acetamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C22H25N3O3S2/c1-16-7-9-17(10-8-16)29-14-11-23-20(27)15-30-22-24-19-6-3-2-5-18(19)21(28)25(22)12-4-13-26/h2-3,5-10,26H,4,11-15H2,1H3,(H,23,27)