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

Systemtic Name: N-[[2-chloranyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C26H22ClN5O5S MolecularWeight: 552.00138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H22ClN5O5S/c1-15-2-7-23-20(12-15)28-25(37-23)17-3-5-18(27)19(13-17)29-26(38)30-24(33)16-4-6-21(22(14-16)32(34)35)31-8-10-36-11-9-31/h2-7,12-14H,8-11H2,1H3,(H2,29,30,33,38)