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

Systemtic Name: N-[[2-chloranyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-nitro-benzamide Formula: C22H15ClN4O4S MolecularWeight: 466.8969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15ClN4O4S/c1-12-2-9-19-18(10-12)24-21(31-19)14-5-8-16(23)17(11-14)25-22(32)26-20(28)13-3-6-15(7-4-13)27(29)30/h2-11H,1H3,(H2,25,26,28,32)