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

Systemtic Name: 4-(3-methylbutoxy)-N-[(3-nitrophenyl)carbamothioyl]benzamide Openeye Name: 4-isopentyloxy-N-[(3-nitrophenyl)carbamothioyl]benzamide CAS Name: 4-(3-methylbutoxy)-N-[(3-nitroanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-(3-methylbutoxy)-N-[(3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 4-isoamoxy-N-[(3-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(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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