3-bromanyl-4-(3-methylbutoxy)-N-(propylcarbamothioyl)benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-(propylcarbamothioyl)benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-(propylcarbamothioyl)benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[propylamino(sulfanylidene)methyl]benzamide IUPAC Name: 3-bromo-4-(3-methylbutoxy)-N-(propylcarbamothioyl)benzamide Traditional Name: 3-bromo-4-isoamoxy-N-(propylthiocarbamoyl)benzamide Formula: C16H23BrN2O2S MolecularWeight: 387.33502

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NC(=O)C1=CC(=C(C=C1)OCCC(C)C)Br

Isomeric SMILES

CCCNC(=S)NC(=O)C1=CC(=C(C=C1)OCCC(C)C)Br

InChI

InChI=1S/C16H23BrN2O2S/c1-4-8-18-16(22)19-15(20)12-5-6-14(13(17)10-12)21-9-7-11(2)3/h5-6,10-11H,4,7-9H2,1-3H3,(H2,18,19,20,22)