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

Systemtic Name: N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: 4-morpholino-N-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-nitro-benzamide CAS Name: N-[[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: 4-morpholino-N-[[2-(m-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-nitro-benzamide Formula: C26H23N5O5S MolecularWeight: 517.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O5S/c1-16-3-2-4-18(13-16)25-28-20-15-19(6-8-23(20)36-25)27-26(37)29-24(32)17-5-7-21(22(14-17)31(33)34)30-9-11-35-12-10-30/h2-8,13-15H,9-12H2,1H3,(H2,27,29,32,37)