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

Systemtic Name: N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(3-isopentyloxyphenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(3-isoamoxyphenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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