N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]propanamide

Systemtic Name: N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]propanamide Openeye Name: N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]propanamide CAS Name: N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]propanamide Traditional Name: N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]propionamide Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC(=S)NC1=CC(=C(C=C1)N2CCOCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O4S/c1-2-13(19)16-14(23)15-10-3-4-11(12(9-10)18(20)21)17-5-7-22-8-6-17/h3-4,9H,2,5-8H2,1H3,(H2,15,16,19,23)