N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-[4-oxidanylidene-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[4-oxo-3-(3-pyridylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[[4-oxo-3-(3-pyridinylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[[4-keto-3-(3-pyridylmethyl)quinazolin-2-yl]thio]propionamide Formula: C25H23ClN4O2S MolecularWeight: 478.99372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC4=CN=CC=C4)C

InChI

InChI=1S/C25H23ClN4O2S/c1-15-11-16(2)22(20(26)12-15)29-23(31)17(3)33-25-28-21-9-5-4-8-19(21)24(32)30(25)14-18-7-6-10-27-13-18/h4-13,17H,14H2,1-3H3,(H,29,31)