3-chloranyl-N-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(2-methylpropyl)-4-oxidanylidene-quinazolin-3-yl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(2-isobutyl-4-oxo-quinazolin-3-yl)benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(2-methylpropyl)-4-oxo-3-quinazolinyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(2-methylpropyl)-4-oxoquinazolin-3-yl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(2-isobutyl-4-keto-quinazolin-3-yl)benzothiophene-2-carboxamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

CC(C)CC1=NC2=CC=CC=C2C(=O)N1NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H18ClN3O2S/c1-12(2)11-17-23-15-9-5-3-7-13(15)21(27)25(17)24-20(26)19-18(22)14-8-4-6-10-16(14)28-19/h3-10,12H,11H2,1-2H3,(H,24,26)