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

Systemtic Name: methyl 3-[2-[4-[(4-dimethylaminophenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[2-[4-[(4-dimethylaminophenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[4-[(4-dimethylaminophenyl)methyl]-1-piperazinyl]-1-oxoethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(4-dimethylaminophenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 3-[[2-[4-[4-(dimethylamino)benzyl]piperazino]acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=C(SC=C3)C(=O)OC

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CN2CCN(CC2)CC(=O)NC3=C(SC=C3)C(=O)OC

InChI

InChI=1S/C21H28N4O3S/c1-23(2)17-6-4-16(5-7-17)14-24-9-11-25(12-10-24)15-19(26)22-18-8-13-29-20(18)21(27)28-3/h4-8,13H,9-12,14-15H2,1-3H3,(H,22,26)