2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-2-[7-chloro-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: 2-[[7-chloro-4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-2-[7-chloro-4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-benzyl-2-[[7-chloro-4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]propionamide Formula: C23H24ClN3O3S MolecularWeight: 457.97296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCO4

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4CCCO4

InChI

InChI=1S/C23H24ClN3O3S/c1-15(21(28)25-13-16-6-3-2-4-7-16)31-23-26-20-12-17(24)9-10-19(20)22(29)27(23)14-18-8-5-11-30-18/h2-4,6-7,9-10,12,15,18H,5,8,11,13-14H2,1H3,(H,25,28)