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

Systemtic Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)anilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C26H23N5O4S2 MolecularWeight: 533.62192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

InChI=1S/C26H23N5O4S2/c1-16-2-8-20-23(14-16)37-25(28-20)17-3-6-19(7-4-17)27-26(36)29-24(32)18-5-9-21(22(15-18)31(33)34)30-10-12-35-13-11-30/h2-9,14-15H,10-13H2,1H3,(H2,27,29,32,36)