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

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[3-(isopropylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[3-[oxo-(propan-2-ylamino)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[3-(propan-2-ylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[3-(isopropylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C24H30BrN3O3S MolecularWeight: 520.4823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)C)Br

InChI

InChI=1S/C24H30BrN3O3S/c1-4-5-6-7-13-31-21-12-11-18(15-20(21)25)23(30)28-24(32)27-19-10-8-9-17(14-19)22(29)26-16(2)3/h8-12,14-16H,4-7,13H2,1-3H3,(H,26,29)(H2,27,28,30,32)