methyl 4-(4-methoxyphenyl)-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methoxyphenyl)-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperazino)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O4S MolecularWeight: 479.59116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4S/c1-32-21-10-8-20(9-11-21)22-18-34-25(24(22)26(31)33-2)27-23(30)17-29-14-12-28(13-15-29)16-19-6-4-3-5-7-19/h3-11,18H,12-17H2,1-2H3,(H,27,30)