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

Systemtic Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chlorophenyl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[3-(1,3-benzothiazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C25H20ClN5O4S2 MolecularWeight: 554.0404

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C25H20ClN5O4S2/c26-18-7-6-16(14-17(18)24-28-19-3-1-2-4-22(19)37-24)27-25(36)29-23(32)15-5-8-20(21(13-15)31(33)34)30-9-11-35-12-10-30/h1-8,13-14H,9-12H2,(H2,27,29,32,36)