N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-N-[(4-keto-1H-quinazolin-2-yl)methyl]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)N(CC3=CC=CC=C3)CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)N(CC3=CC=CC=C3)CC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C25H23N3O2S/c29-24-19-11-4-6-12-21(19)26-23(27-24)15-28(14-17-8-2-1-3-9-17)25(30)20-16-31-22-13-7-5-10-18(20)22/h1-4,6,8-9,11-12,16H,5,7,10,13-15H2,(H,26,27,29)