N-[[5-(2,4-dimethylphenoxy)-2-nitro-phenyl]methylcarbamothioyl]benzamide

Systemtic Name: N-[[5-(2,4-dimethylphenoxy)-2-nitro-phenyl]methylcarbamothioyl]benzamide Openeye Name: N-[[5-(2,4-dimethylphenoxy)-2-nitro-phenyl]methylcarbamothioyl]benzamide CAS Name: N-[[[5-(2,4-dimethylphenoxy)-2-nitrophenyl]methylamino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[5-(2,4-dimethylphenoxy)-2-nitrophenyl]methylcarbamothioyl]benzamide Traditional Name: N-[[5-(2,4-dimethylphenoxy)-2-nitro-benzyl]thiocarbamoyl]benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])CNC(=S)NC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])CNC(=S)NC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C23H21N3O4S/c1-15-8-11-21(16(2)12-15)30-19-9-10-20(26(28)29)18(13-19)14-24-23(31)25-22(27)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H2,24,25,27,31)