methyl 4-ethyl-5-methyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(1-benzylpiperidin-1-ium-4-yl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[[1-(phenylmethyl)-4-piperidin-1-iumyl]amino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-benzylpiperidin-1-ium-4-yl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H30N3O2S2+ MolecularWeight: 432.6225

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H29N3O2S2/c1-4-18-15(2)29-20(19(18)21(26)27-3)24-22(28)23-17-10-12-25(13-11-17)14-16-8-6-5-7-9-16/h5-9,17H,4,10-14H2,1-3H3,(H2,23,24,28)/p+1