3-bromanyl-4-ethoxy-N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[4-[(3-methoxypropylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[4-(3-methoxypropylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[4-(3-methoxypropylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H24BrN3O4S MolecularWeight: 494.40196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCCOC)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCCOC)Br

InChI

InChI=1S/C21H24BrN3O4S/c1-3-29-18-10-7-15(13-17(18)22)20(27)25-21(30)24-16-8-5-14(6-9-16)19(26)23-11-4-12-28-2/h5-10,13H,3-4,11-12H2,1-2H3,(H,23,26)(H2,24,25,27,30)