N-[[2-chloranyl-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[2-chloranyl-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-nitro-benzamide CAS Name: N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[[2-chloro-5-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-nitro-benzamide Formula: C23H17ClN4O4S MolecularWeight: 480.92348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C2C(=C1)N=C(O2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=CC=C4[N+](=O)[O-])C

InChI

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