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

Systemtic Name: N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]-3-propoxy-benzamide Openeye Name: N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]-3-propoxy-benzamide CAS Name: N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]-3-propoxybenzamide IUPAC Name: N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]-3-propoxybenzamide Traditional Name: N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]-3-propoxy-benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c1-2-10-30-17-5-3-4-15(13-17)20(26)23-21(31)22-16-6-7-18(19(14-16)25(27)28)24-8-11-29-12-9-24/h3-7,13-14H,2,8-12H2,1H3,(H2,22,23,26,31)