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

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