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

Systemtic Name: 2,2-dimethyl-N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-propanamide Openeye Name: 2,2-dimethyl-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]propanamide CAS Name: 2,2-dimethyl-N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]propanamide IUPAC Name: 2,2-dimethyl-N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]propanamide Traditional Name: 2,2-dimethyl-N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]propionamide Formula: C20H29N5O4S MolecularWeight: 435.54036

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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-])N3CCOCC3

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O4S/c1-20(2,3)18(26)21-19(30)24-8-6-22(7-9-24)15-4-5-16(25(27)28)17(14-15)23-10-12-29-13-11-23/h4-5,14H,6-13H2,1-3H3,(H,21,26,30)