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

Systemtic Name: methyl 5-ethyl-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[2-[4-(1-naphthylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[2-[4-(1-naphthalenylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[2-[4-(1-naphthylmethyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C25H29N3O3S MolecularWeight: 451.58106

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=CC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C25H29N3O3S/c1-3-20-15-22(25(30)31-2)24(32-20)26-23(29)17-28-13-11-27(12-14-28)16-19-9-6-8-18-7-4-5-10-21(18)19/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,26,29)