[3-ethoxy-4-(2-methylpropoxy)phenyl]-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]methanone

Systemtic Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]methanone Openeye Name: (3-ethoxy-4-isobutoxy-phenyl)-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone CAS Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]methanone IUPAC Name: [3-ethoxy-4-(2-methylpropoxy)phenyl]-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]methanone Traditional Name: (3-ethoxy-4-isobutoxy-phenyl)-[4-(5-nitrothiophene-2-carbonyl)piperazino]methanone Formula: C22H27N3O6S MolecularWeight: 461.53128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])OCC(C)C

InChI

InChI=1S/C22H27N3O6S/c1-4-30-18-13-16(5-6-17(18)31-14-15(2)3)21(26)23-9-11-24(12-10-23)22(27)19-7-8-20(32-19)25(28)29/h5-8,13,15H,4,9-12,14H2,1-3H3