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

Systemtic Name: 3-bromanyl-4-butoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[(3-propoxyanilino)-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[(3-propoxyphenyl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(3-propoxyphenyl)thiocarbamoyl]benzamide Formula: C21H25BrN2O3S MolecularWeight: 465.4038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCCC)Br

InChI

InChI=1S/C21H25BrN2O3S/c1-3-5-12-27-19-10-9-15(13-18(19)22)20(25)24-21(28)23-16-7-6-8-17(14-16)26-11-4-2/h6-10,13-14H,3-5,11-12H2,1-2H3,(H2,23,24,25,28)