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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NCCN(CC)CC)Br

InChI

InChI=1S/C25H33BrN4O3S/c1-4-7-16-33-22-13-10-19(17-21(22)26)24(32)29-25(34)28-20-11-8-18(9-12-20)23(31)27-14-15-30(5-2)6-3/h8-13,17H,4-7,14-16H2,1-3H3,(H,27,31)(H2,28,29,32,34)