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

Systemtic Name: ethyl 2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C26H33N5O2S2 MolecularWeight: 511.70252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C26H33N5O2S2/c1-4-31-18-21(19(3)28-31)17-29-11-13-30(14-12-29)26(34)27-24-23(25(32)33-5-2)16-22(35-24)15-20-9-7-6-8-10-20/h6-10,16,18H,4-5,11-15,17H2,1-3H3,(H,27,34)