N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]-1-naphthamide Formula: C22H20N4O4S MolecularWeight: 436.4836

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)NC(=S)NC(=O)C3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4S/c27-21(18-7-3-5-15-4-1-2-6-17(15)18)24-22(31)23-16-8-9-19(20(14-16)26(28)29)25-10-12-30-13-11-25/h1-9,14H,10-13H2,(H2,23,24,27,31)