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

Systemtic Name: 3-bromanyl-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C25H33BrN4O3S MolecularWeight: 549.52352

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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(C)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C25H33BrN4O3S/c1-5-30(6-2)14-13-27-23(31)18-7-10-20(11-8-18)28-25(34)29-24(32)19-9-12-22(21(26)15-19)33-16-17(3)4/h7-12,15,17H,5-6,13-14,16H2,1-4H3,(H,27,31)(H2,28,29,32,34)