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

Systemtic Name: 3-bromanyl-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C23H29BrN4O3S MolecularWeight: 521.47036

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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)OCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C23H29BrN4O3S/c1-4-28(5-2)14-13-25-21(29)16-7-10-18(11-8-16)26-23(32)27-22(30)17-9-12-20(31-6-3)19(24)15-17/h7-12,15H,4-6,13-14H2,1-3H3,(H,25,29)(H2,26,27,30,32)