N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-nitro-benzamide

Systemtic Name: N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-nitro-benzamide Openeye Name: N-[(4-isopentyloxyphenyl)carbamothioyl]-2-nitro-benzamide CAS Name: N-[[4-(3-methylbutoxy)anilino]-sulfanylidenemethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-nitrobenzamide Traditional Name: N-[(4-isoamoxyphenyl)thiocarbamoyl]-2-nitro-benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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