N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioylpentanamide

Systemtic Name: N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioylpentanamide Openeye Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]pentanamide CAS Name: N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]pentanamide Traditional Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]valeramide Formula: C20H29N5O4S MolecularWeight: 435.54036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

CCCCC(=O)NC(=S)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C20H29N5O4S/c1-2-3-4-19(26)21-20(30)24-9-7-22(8-10-24)16-5-6-17(25(27)28)18(15-16)23-11-13-29-14-12-23/h5-6,15H,2-4,7-14H2,1H3,(H,21,26,30)