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

Systemtic Name: 5-bromanyl-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C22H27BrN4O3S MolecularWeight: 507.44378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27BrN4O3S/c1-4-27(5-2)13-12-24-20(28)15-6-9-17(10-7-15)25-22(31)26-21(29)18-14-16(23)8-11-19(18)30-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,24,28)(H2,25,26,29,31)