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

Systemtic Name: 3-chloranyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-(phenylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-benzyl-3-chloro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(phenylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-benzyl-3-chloro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-benzyl-3-chloro-N-[(4-keto-1H-quinazolin-2-yl)methyl]benzothiophene-2-carboxamide Formula: C25H18ClN3O2S MolecularWeight: 459.94732

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C25H18ClN3O2S/c26-22-18-11-5-7-13-20(18)32-23(22)25(31)29(14-16-8-2-1-3-9-16)15-21-27-19-12-6-4-10-17(19)24(30)28-21/h1-13H,14-15H2,(H,27,28,30)