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

Systemtic Name: 2-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H30N4O3S2 MolecularWeight: 498.6607

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

InChI=1S/C25H30N4O3S2/c1-2-3-4-9-14-29-24(32)16-10-5-7-12-18(16)27-25(29)33-15-20(30)28-23-21(22(26)31)17-11-6-8-13-19(17)34-23/h5,7,10,12H,2-4,6,8-9,11,13-15H2,1H3,(H2,26,31)(H,28,30)