N-(2,3-dimethylphenyl)-2-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylethanoylamino]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylethanoylamino]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[[2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[[2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[[2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[[2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]acetamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-15-7-5-10-18(16(15)2)25-20(29)13-24-21(30)14-32-23-26-19-9-4-3-8-17(19)22(31)27(23)11-6-12-28/h3-5,7-10,28H,6,11-14H2,1-2H3,(H,24,30)(H,25,29)