methyl 5-(diethylcarbamoyl)-2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]carbothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-carbothioyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C24H37N6O3S2+ MolecularWeight: 521.71898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)N(CC)CC)C)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)N(CC)CC)C)C(=O)OC)C

InChI

InChI=1S/C24H36N6O3S2/c1-7-28(8-2)22(31)20-16(4)19(23(32)33-6)21(35-20)26-24(34)29-12-10-27(11-13-29)15-18-14-25-30(9-3)17(18)5/h14H,7-13,15H2,1-6H3,(H,26,34)/p+1