2-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]thiophene-3-carboxamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C21H24N4O3S2/c1-2-3-4-7-11-25-20(28)14-8-5-6-9-16(14)23-21(25)30-13-17(26)24-19-15(18(22)27)10-12-29-19/h5-6,8-10,12H,2-4,7,11,13H2,1H3,(H2,22,27)(H,24,26)