2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-(4-oxidanylidenequinazolin-3-yl)ethanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-(4-oxo-3-quinazolinyl)ethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[[2-(4-ketoquinazolin-3-yl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C26H24N4O3S MolecularWeight: 472.55876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=NC4=CC=CC=C4C3=O)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CN3C=NC4=CC=CC=C4C3=O)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O3S/c31-22(15-30-16-28-20-12-6-4-10-18(20)26(30)33)29-25-23(19-11-5-7-13-21(19)34-25)24(32)27-14-17-8-2-1-3-9-17/h1-4,6,8-10,12,16H,5,7,11,13-15H2,(H,27,32)(H,29,31)