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

Systemtic Name: 2-[2-[4-(ethylamino)quinazolin-2-yl]sulfanylethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[[4-(ethylamino)-2-quinazolinyl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[4-(ethylamino)quinazolin-2-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[[4-(ethylamino)quinazolin-2-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N

InChI

InChI=1S/C21H23N5O2S2/c1-2-23-19-12-7-3-5-9-14(12)24-21(26-19)29-11-16(27)25-20-17(18(22)28)13-8-4-6-10-15(13)30-20/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H2,22,28)(H,25,27)(H,23,24,26)