N-(2-methoxyphenyl)-2-[3-(1-oxidanylbutan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-methoxyphenyl)-2-[3-(1-oxidanylbutan-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-[1-(hydroxymethyl)propyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide CAS Name: 2-[[3-(1-hydroxybutan-2-yl)-4-oxo-2-quinazolinyl]thio]-N-(2-methoxyphenyl)acetamide IUPAC Name: 2-[3-(1-hydroxybutan-2-yl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyphenyl)acetamide Traditional Name: 2-[[4-keto-3-(1-methylolpropyl)quinazolin-2-yl]thio]-N-(2-methoxyphenyl)acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3OC

Isomeric SMILES

CCC(CO)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C21H23N3O4S/c1-3-14(12-25)24-20(27)15-8-4-5-9-16(15)23-21(24)29-13-19(26)22-17-10-6-7-11-18(17)28-2/h4-11,14,25H,3,12-13H2,1-2H3,(H,22,26)