N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[2-(4-chlorophenyl)benzotriazol-5-yl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C24H20ClN7O4S MolecularWeight: 537.9781

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)C(=O)NC(=S)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H20ClN7O4S/c25-16-2-5-18(6-3-16)31-28-19-7-4-17(14-20(19)29-31)26-24(37)27-23(33)15-1-8-21(22(13-15)32(34)35)30-9-11-36-12-10-30/h1-8,13-14H,9-12H2,(H2,26,27,33,37)