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

Systemtic Name: 3-bromanyl-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide Openeye Name: 3-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-methyl-benzamide CAS Name: 3-bromo-N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-methylbenzamide Traditional Name: 3-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]-4-methyl-benzamide Formula: C22H27BrN4O2S MolecularWeight: 491.44438

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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(=C(C=C2)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN4O2S/c1-4-27(5-2)13-12-24-20(28)16-8-10-18(11-9-16)25-22(30)26-21(29)17-7-6-15(3)19(23)14-17/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,28)(H2,25,26,29,30)