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

Systemtic Name: 2-methyl-N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioyl-propanamide Openeye Name: 2-methyl-N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]propanamide CAS Name: 2-methyl-N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]propanamide IUPAC Name: 2-methyl-N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]propanamide Traditional Name: 2-methyl-N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]propionamide Formula: C20H29N5O3S MolecularWeight: 419.54096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3S/c1-15(2)19(26)21-20(29)24-12-10-22(11-13-24)16-6-7-17(25(27)28)18(14-16)23-8-4-3-5-9-23/h6-7,14-15H,3-5,8-13H2,1-2H3,(H,21,26,29)