methyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)thiophene-2-carboxylate

Systemtic Name: methyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)thiophene-2-carboxylate Openeye Name: methyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)thiophene-2-carboxylate CAS Name: 3-methyl-5-[[[3-(4-morpholin-4-iumyl)propylamino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-methyl-5-(3-morpholin-4-ium-4-ylpropylcarbamothioylamino)thiophene-2-carboxylate Traditional Name: 3-methyl-5-(3-morpholin-4-ium-4-ylpropylthiocarbamoylamino)thiophene-2-carboxylic acid methyl ester Formula: C15H24N3O3S2+ MolecularWeight: 358.49936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)NC(=S)NCCC[NH+]2CCOCC2)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1)NC(=S)NCCC[NH+]2CCOCC2)C(=O)OC

InChI

InChI=1S/C15H23N3O3S2/c1-11-10-12(23-13(11)14(19)20-2)17-15(22)16-4-3-5-18-6-8-21-9-7-18/h10H,3-9H2,1-2H3,(H2,16,17,22)/p+1