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

Systemtic Name: N-[[6-chloranyl-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[6-chloro-2-(p-tolyl)benzotriazol-5-yl]carbamothioyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[[6-chloro-2-(4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[6-chloro-2-(4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[[6-chloro-2-(p-tolyl)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=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=S)NC(=O)C4=CC(=C(C=C4)N5CCOCC5)[N+](=O)[O-]

InChI

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