3-bromanyl-4-propoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-propoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-propoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-propoxy-N-[(3-propoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-propoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-propoxy-N-[(3-propoxyphenyl)thiocarbamoyl]benzamide Formula: C20H23BrN2O3S MolecularWeight: 451.37722

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC)Br

InChI

InChI=1S/C20H23BrN2O3S/c1-3-10-25-16-7-5-6-15(13-16)22-20(27)23-19(24)14-8-9-18(17(21)12-14)26-11-4-2/h5-9,12-13H,3-4,10-11H2,1-2H3,(H2,22,23,24,27)