3-bromanyl-4-butoxy-N-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[2-(isopropylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[2-[oxo-(propan-2-ylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[2-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[2-(isopropylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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=C2C(=O)NC(C)C)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)C)Br

InChI

InChI=1S/C22H26BrN3O3S/c1-4-5-12-29-19-11-10-15(13-17(19)23)20(27)26-22(30)25-18-9-7-6-8-16(18)21(28)24-14(2)3/h6-11,13-14H,4-5,12H2,1-3H3,(H,24,28)(H2,25,26,27,30)