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

Systemtic Name: 2-(3-methylbutoxy)-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 2-isopentyloxy-N-[(2-methyl-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 2-(3-methylbutoxy)-N-[(2-methyl-3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 2-(3-methylbutoxy)-N-[(2-methyl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 2-isoamoxy-N-[(2-methyl-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C20H23N3O4S MolecularWeight: 401.47932

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=C2OCCC(C)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=S)NC(=O)C2=CC=CC=C2OCCC(C)C

InChI

InChI=1S/C20H23N3O4S/c1-13(2)11-12-27-18-10-5-4-7-15(18)19(24)22-20(28)21-16-8-6-9-17(14(16)3)23(25)26/h4-10,13H,11-12H2,1-3H3,(H2,21,22,24,28)