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

Systemtic Name: 2-[3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[3-(4-oxo-1H-quinazolin-2-yl)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[1-oxo-3-(4-oxo-1H-quinazolin-2-yl)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[3-(4-oxo-1H-quinazolin-2-yl)propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[3-(4-keto-1H-quinazolin-2-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)CCC3=NC(=O)C4=CC=CC=C4N3)C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CCC3=NC(=O)C4=CC=CC=C4N3)C(=O)N

InChI

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