4-azanyl-3-(4-ethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide

Systemtic Name: 4-azanyl-3-(4-ethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide Openeye Name: 4-amino-3-(4-ethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-thioxo-thiazole-5-carboxamide CAS Name: 4-amino-3-(4-ethoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-2-sulfanylidene-5-thiazolecarboxamide IUPAC Name: 4-amino-3-(4-ethoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)-2-sulfanylidene-1,3-thiazole-5-carboxamide Traditional Name: 4-amino-N-(2-morpholin-4-ium-4-ylethyl)-3-p-phenetyl-2-thioxo-4-thiazoline-5-carboxamide Formula: C18H25N4O3S2+ MolecularWeight: 409.5461

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC[NH+]3CCOCC3)N

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC[NH+]3CCOCC3)N

InChI

InChI=1S/C18H24N4O3S2/c1-2-25-14-5-3-13(4-6-14)22-16(19)15(27-18(22)26)17(23)20-7-8-21-9-11-24-12-10-21/h3-6H,2,7-12,19H2,1H3,(H,20,23)/p+1