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

Systemtic Name: N-[[4-chloranyl-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[4-chloro-3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C24H19ClN4O4S MolecularWeight: 494.95006

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)NC(=S)NC(=O)C4=C(C(=CC=C4)[N+](=O)[O-])C)Cl

InChI

InChI=1S/C24H19ClN4O4S/c1-3-14-7-10-21-19(11-14)27-23(33-21)17-12-15(8-9-18(17)25)26-24(34)28-22(30)16-5-4-6-20(13(16)2)29(31)32/h4-12H,3H2,1-2H3,(H2,26,28,30,34)