N-[[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[4-chloranyl-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[4-chloro-3-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[4-chloro-3-(5-isopropyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C28H26ClN5O5S MolecularWeight: 580.05454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])Cl

InChI

InChI=1S/C28H26ClN5O5S/c1-16(2)17-4-8-25-22(13-17)31-27(39-25)20-15-19(5-6-21(20)29)30-28(40)32-26(35)18-3-7-23(24(14-18)34(36)37)33-9-11-38-12-10-33/h3-8,13-16H,9-12H2,1-2H3,(H2,30,32,35,40)