N-[[3-(1H-benzimidazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[[3-(1H-benzimidazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[[3-(1H-benzimidazol-2-yl)-4-chloro-phenyl]carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[[3-(1H-benzimidazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[[3-(1H-benzimidazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C25H21ClN6O4S MolecularWeight: 536.99004

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC(=C(C=C3)Cl)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H21ClN6O4S/c26-19-7-5-15(13-17(19)23-28-20-3-1-2-4-21(20)29-23)27-25(37)30-24(33)18-14-16(32(34)35)6-8-22(18)31-9-11-36-12-10-31/h1-8,13-14H,9-12H2,(H,28,29)(H2,27,30,33,37)