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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NC4=C(O3)C=CC(=C4)Cl

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NC4=C(O3)C=CC(=C4)Cl

InChI

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