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

Systemtic Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-6-methyl-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[2-(4-chlorophenyl)-6-methylbenzotriazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[2-(4-chlorophenyl)-6-methyl-benzotriazol-5-yl]thiocarbamoyl]-4-morpholino-3-nitro-benzamide Formula: C25H22ClN7O4S MolecularWeight: 552.00468

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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)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)Cl

InChI

InChI=1S/C25H22ClN7O4S/c1-15-12-20-21(30-32(29-20)18-5-3-17(26)4-6-18)14-19(15)27-25(38)28-24(34)16-2-7-22(23(13-16)33(35)36)31-8-10-37-11-9-31/h2-7,12-14H,8-11H2,1H3,(H2,27,28,34,38)