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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

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