N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-4-nitro-benzamide

Systemtic Name: N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[(4-isopentyloxyphenyl)carbamothioyl]-4-nitro-benzamide CAS Name: N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[(4-isoamoxyphenyl)thiocarbamoyl]-4-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-13(2)11-12-26-17-9-5-15(6-10-17)20-19(27)21-18(23)14-3-7-16(8-4-14)22(24)25/h3-10,13H,11-12H2,1-2H3,(H2,20,21,23,27)