[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(5-nitrothiophen-3-yl)methanone

Systemtic Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(5-nitrothiophen-3-yl)methanone Openeye Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(5-nitro-3-thienyl)methanone CAS Name: [4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-(5-nitro-3-thiophenyl)methanone IUPAC Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(5-nitrothiophen-3-yl)methanone Traditional Name: [4-(4-ethoxybenzyl)piperazino]-(5-nitro-3-thienyl)methanone Formula: C18H21N3O4S MolecularWeight: 375.44204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CSC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CSC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O4S/c1-2-25-16-5-3-14(4-6-16)12-19-7-9-20(10-8-19)18(22)15-11-17(21(23)24)26-13-15/h3-6,11,13H,2,7-10,12H2,1H3