N-tert-butyl-2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: N-tert-butyl-2-[7-chloranyl-3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[7-chloro-3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[7-chloro-3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-N-tert-butyl-2-[[7-chloro-4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetamide Formula: C25H30ClN3O3S MolecularWeight: 488.042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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