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

Systemtic Name: N-[(3-chloranyl-4-morpholin-4-yl-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[(3-chloro-4-morpholino-phenyl)carbamothioyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[[3-chloro-4-(4-morpholinyl)anilino]-sulfanylidenemethyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[(3-chloro-4-morpholin-4-ylphenyl)carbamothioyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[(3-chloro-4-morpholino-phenyl)thiocarbamoyl]-4-ethoxy-3-nitro-benzamide Formula: C20H21ClN4O5S MolecularWeight: 464.92254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O5S/c1-2-30-18-6-3-13(11-17(18)25(27)28)19(26)23-20(31)22-14-4-5-16(15(21)12-14)24-7-9-29-10-8-24/h3-6,11-12H,2,7-10H2,1H3,(H2,22,23,26,31)