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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[1-(phenylmethyl)piperidin-1-ium-4-yl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[(1-benzylpiperidin-1-ium-4-yl)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-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]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(1-benzylpiperidin-1-ium-4-yl)thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H35N4O3S2+ MolecularWeight: 503.7004

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2CC[NH+](CC2)CC3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C25H34N4O3S2/c1-5-29(6-2)23(30)21-17(3)20(24(31)32-4)22(34-21)27-25(33)26-19-12-14-28(15-13-19)16-18-10-8-7-9-11-18/h7-11,19H,5-6,12-16H2,1-4H3,(H2,26,27,33)/p+1