N-butan-2-yl-2-[3-(3,3-diethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-butan-2-yl-2-[3-(3,3-diethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(3,3-diethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[3-(3,3-diethoxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[3-(3,3-diethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[3-(3,3-diethoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-sec-butyl-acetamide Formula: C21H31N3O4S MolecularWeight: 421.55354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(OCC)OCC

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(OCC)OCC

InChI

InChI=1S/C21H31N3O4S/c1-5-15(4)22-18(25)14-29-21-23-17-11-9-8-10-16(17)20(26)24(21)13-12-19(27-6-2)28-7-3/h8-11,15,19H,5-7,12-14H2,1-4H3,(H,22,25)