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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-[diethylamino(oxo)methyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(diethylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[4-(diethylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28BrN3O3S/c1-4-7-14-30-20-13-10-17(15-19(20)24)21(28)26-23(31)25-18-11-8-16(9-12-18)22(29)27(5-2)6-3/h8-13,15H,4-7,14H2,1-3H3,(H2,25,26,28,31)