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

Systemtic Name: methyl 5-ethyl-2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H29N5O2S2 MolecularWeight: 435.60656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=C(N(N=C3)CC)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)CC3=C(N(N=C3)CC)C)C(=O)OC

InChI

InChI=1S/C20H29N5O2S2/c1-5-16-11-17(19(26)27-4)18(29-16)22-20(28)24-9-7-23(8-10-24)13-15-12-21-25(6-2)14(15)3/h11-12H,5-10,13H2,1-4H3,(H,22,28)