ethyl 2-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H32N4O4S MolecularWeight: 436.56818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C21H32N4O4S/c1-2-29-21(28)17-7-14-30-20(17)22-18(26)15-23-10-12-24(13-11-23)16-19(27)25-8-5-3-4-6-9-25/h7,14H,2-6,8-13,15-16H2,1H3,(H,22,26)