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

Systemtic Name: 3-bromanyl-N-[[4-(ethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[4-(ethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[4-(ethylcarbamoyl)anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[4-(ethylcarbamoyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[4-(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=C(C=C2)C(=O)NCC)Br

Isomeric SMILES

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

InChI

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