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

Systemtic Name: N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioylpropanamide Openeye Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]propanamide CAS Name: N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]propanamide IUPAC Name: N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]propanamide Traditional Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]propionamide Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O4S/c1-2-17(24)19-18(28)22-7-5-20(6-8-22)14-3-4-15(23(25)26)16(13-14)21-9-11-27-12-10-21/h3-4,13H,2,5-12H2,1H3,(H,19,24,28)