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

Systemtic Name: N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-3-nitro-benzamide Openeye Name: N-[(3-isopentyloxyphenyl)carbamothioyl]-3-nitro-benzamide CAS Name: N-[[3-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-3-nitrobenzamide IUPAC Name: N-[[3-(3-methylbutoxy)phenyl]carbamothioyl]-3-nitrobenzamide Traditional Name: N-[(3-isoamoxyphenyl)thiocarbamoyl]-3-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)9-10-26-17-8-4-6-15(12-17)20-19(27)21-18(23)14-5-3-7-16(11-14)22(24)25/h3-8,11-13H,9-10H2,1-2H3,(H2,20,21,23,27)