N-tert-butyl-2-[3-(3,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide

Systemtic Name: N-tert-butyl-2-[3-(3,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-N-tert-butyl-2-[3-(3,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-tert-butyl-2-[[3-(3,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-N-tert-butyl-2-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-benzyl-N-tert-butyl-2-[[3-(3,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C27H25Cl2N3O2S MolecularWeight: 526.4773

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H25Cl2N3O2S/c1-27(2,3)31(16-18-9-5-4-6-10-18)24(33)17-35-26-30-23-12-8-7-11-20(23)25(34)32(26)19-13-14-21(28)22(29)15-19/h4-15H,16-17H2,1-3H3