2-(3-methyl-4-propan-2-yl-phenoxy)-N-[(2-nitrophenyl)carbamothioyl]ethanamide

Systemtic Name: 2-(3-methyl-4-propan-2-yl-phenoxy)-N-[(2-nitrophenyl)carbamothioyl]ethanamide Openeye Name: 2-(4-isopropyl-3-methyl-phenoxy)-N-[(2-nitrophenyl)carbamothioyl]acetamide CAS Name: 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-nitroanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(3-methyl-4-propan-2-ylphenoxy)-N-[(2-nitrophenyl)carbamothioyl]acetamide Traditional Name: 2-(4-isopropyl-3-methyl-phenoxy)-N-[(2-nitrophenyl)thiocarbamoyl]acetamide Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])C(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)NC(=S)NC2=CC=CC=C2[N+](=O)[O-])C(C)C

InChI

InChI=1S/C19H21N3O4S/c1-12(2)15-9-8-14(10-13(15)3)26-11-18(23)21-19(27)20-16-6-4-5-7-17(16)22(24)25/h4-10,12H,11H2,1-3H3,(H2,20,21,23,27)