3-bromanyl-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: 3-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: 3-bromo-N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: 3-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: 3-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C24H31BrN4O3S MolecularWeight: 535.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC)Br

InChI

InChI=1S/C24H31BrN4O3S/c1-4-15-32-21-12-9-18(16-20(21)25)23(31)28-24(33)27-19-10-7-17(8-11-19)22(30)26-13-14-29(5-2)6-3/h7-12,16H,4-6,13-15H2,1-3H3,(H,26,30)(H2,27,28,31,33)