N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C27H25N5O5S MolecularWeight: 531.5829

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-])C

InChI

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