4-(3-methylbutoxy)-N-[(4-nitrophenyl)carbamothioyl]benzamide

Systemtic Name: 4-(3-methylbutoxy)-N-[(4-nitrophenyl)carbamothioyl]benzamide Openeye Name: 4-isopentyloxy-N-[(4-nitrophenyl)carbamothioyl]benzamide CAS Name: 4-(3-methylbutoxy)-N-[(4-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-(3-methylbutoxy)-N-[(4-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-isoamoxy-N-[(4-nitrophenyl)thiocarbamoyl]benzamide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

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