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

Systemtic Name: N-[[2-(3-chloranyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[2-(3-chloro-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[2-(3-chloro-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C23H17ClN4O5S MolecularWeight: 496.92288

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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(=C(C=C4)OC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H17ClN4O5S/c1-12-15(4-3-5-18(12)28(30)31)21(29)27-23(34)25-14-7-9-20-17(11-14)26-22(33-20)13-6-8-19(32-2)16(24)10-13/h3-11H,1-2H3,(H2,25,27,29,34)