ethyl 5-ethyl-2-[[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-[[3-nitro-4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(4-benzylpiperazin-1-yl)-3-nitro-benzoyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[3-nitro-4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-benzylpiperazin-1-yl)-3-nitrobenzoyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-benzylpiperazino)-3-nitro-benzoyl]amino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H30N4O5S MolecularWeight: 522.6159

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C27H30N4O5S/c1-3-21-17-22(27(33)36-4-2)26(37-21)28-25(32)20-10-11-23(24(16-20)31(34)35)30-14-12-29(13-15-30)18-19-8-6-5-7-9-19/h5-11,16-17H,3-4,12-15,18H2,1-2H3,(H,28,32)