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

Systemtic Name: 2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-2-[3-(4-ketoquinazolin-3-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCN3C=NC4=CC=CC=C4C3=O)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O3S/c32-23(14-15-31-17-29-21-12-6-4-10-19(21)27(31)34)30-26-24(20-11-5-7-13-22(20)35-26)25(33)28-16-18-8-2-1-3-9-18/h1-4,6,8-10,12,17H,5,7,11,13-16H2,(H,28,33)(H,30,32)