N-butan-2-yl-4-[3-(2,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-butan-2-yl-4-[3-(2,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: 4-[3-(2,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-sec-butyl-butanamide CAS Name: N-butan-2-yl-4-[[3-(2,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]butanamide IUPAC Name: N-butan-2-yl-4-[3-(2,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: 4-[[3-(2,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-sec-butyl-butyramide Formula: C22H23Cl2N3O2S MolecularWeight: 464.40792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCC(C)NC(=O)CCCSC1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H23Cl2N3O2S/c1-3-14(2)25-20(28)9-6-12-30-22-26-18-8-5-4-7-16(18)21(29)27(22)19-11-10-15(23)13-17(19)24/h4-5,7-8,10-11,13-14H,3,6,9,12H2,1-2H3,(H,25,28)