N-[[4-chloranyl-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[4-chloranyl-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[4-chloro-3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C23H17ClN4O4S MolecularWeight: 480.92348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-])Cl

InChI

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