N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[3-chloranyl-4-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[3-chloro-4-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[3-chloro-4-(2-oxochromen-3-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[3-chloro-4-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C27H21ClN4O6S MolecularWeight: 564.99684

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)C4=CC5=CC=CC=C5OC4=O)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)C4=CC5=CC=CC=C5OC4=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H21ClN4O6S/c28-21-15-18(6-7-19(21)20-13-16-3-1-2-4-24(16)38-26(20)34)29-27(39)30-25(33)17-5-8-22(23(14-17)32(35)36)31-9-11-37-12-10-31/h1-8,13-15H,9-12H2,(H2,29,30,33,39)