[4-(2-nitrophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone

Systemtic Name: [4-(2-nitrophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Openeye Name: [4-(2-nitrophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydrobenzothiophen-3-yl)methanone CAS Name: [4-(2-nitrophenyl)-1-piperazinyl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone IUPAC Name: [4-(2-nitrophenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone Traditional Name: [4-(2-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=CC=C4[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O3S/c23-19(15-13-26-18-8-4-1-5-14(15)18)21-11-9-20(10-12-21)16-6-2-3-7-17(16)22(24)25/h2-3,6-7,13H,1,4-5,8-12H2