[4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone

Systemtic Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone Openeye Name: [4-(benzothiophen-3-ylmethyl)piperazin-1-yl]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone CAS Name: [4-(1-benzothiophen-3-ylmethyl)-1-piperazinyl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone IUPAC Name: [4-(1-benzothiophen-3-ylmethyl)piperazin-1-yl]-(4-ethoxy-5-methoxy-2-nitrophenyl)methanone Traditional Name: [4-(benzothiophen-3-ylmethyl)piperazino]-(4-ethoxy-5-methoxy-2-nitro-phenyl)methanone Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)CC3=CSC4=CC=CC=C43)OC

InChI

InChI=1S/C23H25N3O5S/c1-3-31-21-13-19(26(28)29)18(12-20(21)30-2)23(27)25-10-8-24(9-11-25)14-16-15-32-22-7-5-4-6-17(16)22/h4-7,12-13,15H,3,8-11,14H2,1-2H3