N-(4-butan-2-ylphenyl)-2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-butan-2-ylphenyl)-2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-sec-butylphenyl)acetamide CAS Name: N-(4-butan-2-ylphenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]-N-(4-sec-butylphenyl)acetamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H27N3O3S/c1-4-18(2)19-9-11-20(12-10-19)28-25(31)17-34-27-29-24-8-6-5-7-23(24)26(32)30(27)21-13-15-22(33-3)16-14-21/h5-16,18H,4,17H2,1-3H3,(H,28,31)