[4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[3-(2,2-dimethylpropylamino)-4-nitro-phenyl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[3-(2,2-dimethylpropylamino)-4-nitrophenyl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[3-(neopentylamino)-4-nitro-phenyl]piperazino]-(2-thienyl)methanone Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)CNC1=C(C=CC(=C1)N2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O3S/c1-20(2,3)14-21-16-13-15(6-7-17(16)24(26)27)22-8-10-23(11-9-22)19(25)18-5-4-12-28-18/h4-7,12-13,21H,8-11,14H2,1-3H3