3-methyl-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O4S/c1-15(2)13-19(26)21-20(30)24-7-5-22(6-8-24)16-3-4-17(25(27)28)18(14-16)23-9-11-29-12-10-23/h3-4,14-15H,5-13H2,1-2H3,(H,21,26,30)