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

Systemtic Name: 5-bromanyl-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[4-[(2-diethylaminoethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[4-(2-diethylaminoethylcarbamoyl)phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C27H37BrN4O3S MolecularWeight: 577.57668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC

InChI

InChI=1S/C27H37BrN4O3S/c1-4-7-8-9-18-35-24-15-12-21(28)19-23(24)26(34)31-27(36)30-22-13-10-20(11-14-22)25(33)29-16-17-32(5-2)6-3/h10-15,19H,4-9,16-18H2,1-3H3,(H,29,33)(H2,30,31,34,36)