N-(6-azanylhexyl)-4-[3-(3,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide

Systemtic Name: N-(6-azanylhexyl)-4-[3-(3,4-dichlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-butanamide Openeye Name: N-(6-aminohexyl)-4-[3-(3,4-dichlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-butanamide CAS Name: N-(6-aminohexyl)-4-[[3-(3,4-dichlorophenyl)-4-oxo-2-quinazolinyl]thio]butanamide IUPAC Name: N-(6-aminohexyl)-4-[3-(3,4-dichlorophenyl)-4-oxoquinazolin-2-yl]sulfanylbutanamide Traditional Name: N-(6-aminohexyl)-4-[[3-(3,4-dichlorophenyl)-4-keto-quinazolin-2-yl]thio]butyramide Formula: C24H28Cl2N4O2S MolecularWeight: 507.47572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC(=O)NCCCCCCN)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC(=O)NCCCCCCN)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C24H28Cl2N4O2S/c25-19-12-11-17(16-20(19)26)30-23(32)18-8-3-4-9-21(18)29-24(30)33-15-7-10-22(31)28-14-6-2-1-5-13-27/h3-4,8-9,11-12,16H,1-2,5-7,10,13-15,27H2,(H,28,31)