N-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide

Systemtic Name: N-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C23H17ClN4O4S MolecularWeight: 480.92348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C23H17ClN4O4S/c1-12-6-7-14(22-25-18-11-15(24)8-9-20(18)32-22)10-17(12)26-23(33)27-21(29)16-4-3-5-19(13(16)2)28(30)31/h3-11H,1-2H3,(H2,26,27,29,33)