N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide

Systemtic Name: N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide Openeye Name: N-[(2-methyl-3-nitro-phenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide CAS Name: N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]-3-(2-phenoxyethoxy)benzamide IUPAC Name: N-[(2-methyl-3-nitrophenyl)carbamothioyl]-3-(2-phenoxyethoxy)benzamide Traditional Name: N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]-3-(2-phenoxyethoxy)benzamide Formula: C23H21N3O5S MolecularWeight: 451.49494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)C2=CC(=CC=C2)OCCOC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O5S/c1-16-20(11-6-12-21(16)26(28)29)24-23(32)25-22(27)17-7-5-10-19(15-17)31-14-13-30-18-8-3-2-4-9-18/h2-12,15H,13-14H2,1H3,(H2,24,25,27,32)