[4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone

Systemtic Name: [4-(4-methyl-3-nitro-phenyl)carbonylpiperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone Openeye Name: [4-(4-methyl-3-nitro-benzoyl)piperazin-1-yl]-[2-(2-thienyl)cyclopropyl]methanone CAS Name: [4-[(4-methyl-3-nitrophenyl)-oxomethyl]-1-piperazinyl]-(2-thiophen-2-ylcyclopropyl)methanone IUPAC Name: [4-(4-methyl-3-nitrobenzoyl)piperazin-1-yl]-(2-thiophen-2-ylcyclopropyl)methanone Traditional Name: [4-(4-methyl-3-nitro-benzoyl)piperazino]-[2-(2-thienyl)cyclopropyl]methanone Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CC3C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3CC3C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4S/c1-13-4-5-14(11-17(13)23(26)27)19(24)21-6-8-22(9-7-21)20(25)16-12-15(16)18-3-2-10-28-18/h2-5,10-11,15-16H,6-9,12H2,1H3