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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Cl

InChI

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