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

Systemtic Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide Openeye Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]carbamothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyanilino]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[[5-(1,3-benzoxazol-2-yl)-2-methoxy-phenyl]thiocarbamoyl]-2-methyl-3-nitro-benzamide Formula: C23H18N4O5S MolecularWeight: 462.47782

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=C(C=CC(=C2)C3=NC4=CC=CC=C4O3)OC

InChI

InChI=1S/C23H18N4O5S/c1-13-15(6-5-8-18(13)27(29)30)21(28)26-23(33)25-17-12-14(10-11-19(17)31-2)22-24-16-7-3-4-9-20(16)32-22/h3-12H,1-2H3,(H2,25,26,28,33)