ethyl 4,5-dimethyl-2-[2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-[4-(2-anilino-2-oxo-ethyl)piperazin-1-yl]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(2-anilino-2-oxoethyl)-1-piperazinyl]-1-oxopropyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[2-[4-(2-anilino-2-keto-ethyl)piperazino]propanoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H32N4O4S MolecularWeight: 472.60028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2CCN(CC2)CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)N2CCN(CC2)CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C24H32N4O4S/c1-5-32-24(31)21-16(2)18(4)33-23(21)26-22(30)17(3)28-13-11-27(12-14-28)15-20(29)25-19-9-7-6-8-10-19/h6-10,17H,5,11-15H2,1-4H3,(H,25,29)(H,26,30)