2-[2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[2-[[2-(4-morpholin-4-iumylmethyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]sulfanylacetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[2-(morpholin-4-ium-4-ylmethyl)quinazolin-4-yl]thio]acetyl]amino]thiophene-3-carboxamide Formula: C20H22N5O3S2+ MolecularWeight: 444.55038

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1COCC[NH+]1CC2=NC3=CC=CC=C3C(=N2)SCC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C20H21N5O3S2/c21-18(27)14-5-10-29-20(14)24-17(26)12-30-19-13-3-1-2-4-15(13)22-16(23-19)11-25-6-8-28-9-7-25/h1-5,10H,6-9,11-12H2,(H2,21,27)(H,24,26)/p+1