2,2-dimethyl-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-propanamide

Systemtic Name: 2,2-dimethyl-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-propanamide Openeye Name: 2,2-dimethyl-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]propionamide Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(=S)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CC(C)(C)C(=O)NC(=S)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C21H31N5O3S/c1-21(2,3)19(27)22-20(30)25-13-11-23(12-14-25)16-7-8-17(26(28)29)18(15-16)24-9-5-4-6-10-24/h7-8,15H,4-6,9-14H2,1-3H3,(H,22,27,30)