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

Systemtic Name: methyl 5-ethyl-2-[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[4-[4-(methylthio)benzyl]piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H29N3O3S2 MolecularWeight: 447.61396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC)C(=O)OC

InChI

InChI=1S/C22H29N3O3S2/c1-4-17-13-19(22(27)28-2)21(30-17)23-20(26)15-25-11-9-24(10-12-25)14-16-5-7-18(29-3)8-6-16/h5-8,13H,4,9-12,14-15H2,1-3H3,(H,23,26)