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

Systemtic Name: 2-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 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]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(4-oxoquinazolin-3-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-(4-ketoquinazolin-3-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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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)N

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O3S/c21-18(26)17-13-6-2-4-8-15(13)28-19(17)23-16(25)9-10-24-11-22-14-7-3-1-5-12(14)20(24)27/h1,3,5,7,11H,2,4,6,8-10H2,(H2,21,26)(H,23,25)