3-bromanyl-N-[[2-(ethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(ethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[2-(ethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[2-(ethylcarbamoyl)anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[2-(ethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[2-(ethylcarbamoyl)phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C23H28BrN3O3S MolecularWeight: 506.45572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC)Br

InChI

InChI=1S/C23H28BrN3O3S/c1-3-5-6-9-14-30-20-13-12-16(15-18(20)24)21(28)27-23(31)26-19-11-8-7-10-17(19)22(29)25-4-2/h7-8,10-13,15H,3-6,9,14H2,1-2H3,(H,25,29)(H2,26,27,28,31)