[4-(4-nitrophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Systemtic Name: [4-(4-nitrophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone CAS Name: [4-(4-nitrophenyl)-1-piperazinyl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone IUPAC Name: [4-(4-nitrophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Traditional Name: [4-(4-nitrophenyl)piperazino]-(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone Formula: C19H21N3O3S MolecularWeight: 371.45334

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=CS2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O3S/c23-19(17-13-26-18-4-2-1-3-16(17)18)21-11-9-20(10-12-21)14-5-7-15(8-6-14)22(24)25/h5-8,13H,1-4,9-12H2