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

Systemtic Name: ethyl 4,5-dimethyl-2-[[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(2-anilino-2-oxo-ethyl)piperazine-1-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2-anilino-2-oxoethyl)-1-piperazinyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-(2-anilino-2-keto-ethyl)piperazine-1-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O4S/c1-4-30-21(28)19-15(2)16(3)31-20(19)24-22(29)26-12-10-25(11-13-26)14-18(27)23-17-8-6-5-7-9-17/h5-9H,4,10-14H2,1-3H3,(H,23,27)(H,24,29)