5-bromanyl-2-butoxy-N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[4-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[4-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C23H28BrN3O4S MolecularWeight: 522.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O4S/c1-3-4-14-31-20-11-8-17(24)15-19(20)22(29)27-23(32)26-18-9-6-16(7-10-18)21(28)25-12-5-13-30-2/h6-11,15H,3-5,12-14H2,1-2H3,(H,25,28)(H2,26,27,29,32)