N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[2-methyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C27H25N5O5S MolecularWeight: 531.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])N5CCOCC5

InChI

InChI=1S/C27H25N5O5S/c1-16-3-7-21-24(13-16)37-26(28-21)18-5-4-17(2)22(14-18)29-27(38)30-25(33)20-15-19(32(34)35)6-8-23(20)31-9-11-36-12-10-31/h3-8,13-15H,9-12H2,1-2H3,(H2,29,30,33,38)