N-[[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C26H24ClN7O5S MolecularWeight: 582.03066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C5=CC(=C(C=C5)OC)Cl

Isomeric SMILES

CC1=CC2=NN(N=C2C=C1NC(=S)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C5=CC(=C(C=C5)OC)Cl

InChI

InChI=1S/C26H24ClN7O5S/c1-15-11-20-21(31-33(30-20)17-4-6-24(38-2)18(27)13-17)14-19(15)28-26(40)29-25(35)16-3-5-22(23(12-16)34(36)37)32-7-9-39-10-8-32/h3-6,11-14H,7-10H2,1-2H3,(H2,28,29,35,40)