N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioylbutanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3S/c1-2-6-19(26)21-20(29)24-13-11-22(12-14-24)16-7-8-17(25(27)28)18(15-16)23-9-4-3-5-10-23/h7-8,15H,2-6,9-14H2,1H3,(H,21,26,29)