2-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-ethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-ethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[7-chloro-3-(3-isopropoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)-2-quinazolinyl]thio]-N-ethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[7-chloro-4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanyl-N-ethylacetamide Traditional Name: N-benzyl-2-[[7-chloro-3-(3-isopropoxypropyl)-4-keto-quinazolin-2-yl]thio]-N-ethyl-acetamide Formula: C25H30ClN3O3S MolecularWeight: 488.042

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC(C)C

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CCCOC(C)C

InChI

InChI=1S/C25H30ClN3O3S/c1-4-28(16-19-9-6-5-7-10-19)23(30)17-33-25-27-22-15-20(26)11-12-21(22)24(31)29(25)13-8-14-32-18(2)3/h5-7,9-12,15,18H,4,8,13-14,16-17H2,1-3H3