3-chloranyl-6-fluoranyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-propan-2-yl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-6-fluoranyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-propan-2-yl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-6-fluoro-N-isopropyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-6-fluoro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-propan-2-yl-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-6-fluoro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-propan-2-yl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-fluoro-N-isopropyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]benzothiophene-2-carboxamide Formula: C21H17ClFN3O2S MolecularWeight: 429.894983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

Isomeric SMILES

CC(C)N(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=C(C4=C(S3)C=C(C=C4)F)Cl

InChI

InChI=1S/C21H17ClFN3O2S/c1-11(2)26(10-17-24-15-6-4-3-5-13(15)20(27)25-17)21(28)19-18(22)14-8-7-12(23)9-16(14)29-19/h3-9,11H,10H2,1-2H3,(H,24,25,27)