ethyl N-[4-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]carbamate

Systemtic Name: ethyl N-[4-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]carbamate Openeye Name: ethyl N-[4-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-5-thioxo-1,3,4-thiadiazol-2-yl]carbamate CAS Name: N-[4-[[4-[2-(4-methoxyphenyl)ethyl]-1-piperidin-1-iumyl]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-5-sulfanylidene-1,3,4-thiadiazol-2-yl]carbamate Traditional Name: N-[4-[[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-ium-1-yl]methyl]-5-thioxo-1,3,4-thiadiazol-2-yl]carbamic acid ethyl ester Formula: C20H29N4O3S2+ MolecularWeight: 437.59926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=NN(C(=S)S1)C[NH+]2CCC(CC2)CCC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)NC1=NN(C(=S)S1)C[NH+]2CCC(CC2)CCC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H28N4O3S2/c1-3-27-19(25)21-18-22-24(20(28)29-18)14-23-12-10-16(11-13-23)5-4-15-6-8-17(26-2)9-7-15/h6-9,16H,3-5,10-14H2,1-2H3,(H,21,22,25)/p+1