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

Systemtic Name: 2-bromanyl-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C21H25BrN4O2S MolecularWeight: 477.4178

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C21H25BrN4O2S/c1-3-26(4-2)14-13-23-19(27)15-9-11-16(12-10-15)24-21(29)25-20(28)17-7-5-6-8-18(17)22/h5-12H,3-4,13-14H2,1-2H3,(H,23,27)(H2,24,25,28,29)